![UEC UEC](https://data.pdbj.org/pdbjplus/data/cc/svg/UEC.svg) | UEC | Name: | 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide | Formula: | C38 H47 F N8 O7 | SMILES: | CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC(=O)NCCn1cc(nn1)c1ccncc1 | InChi: | InChI=1S/C38H47FN8O7/c1-24(2)36-27(19-34(50)42-15-17-46-22-30(44-45-46)26-10-13-40-14-11-26)8-9-33(49)41-12-4-6-25(3)18-29(48)20-28(39)21-35-43-31(23-53-35)37(51)47-16-5-7-32(47)38(52)54-36/h4,6,8-11,13-14,18,22-24,27-29,32,36,48H,5,7,12,15-17,19-21H2,1-3H3,(H,41,49)(H,42,50)/b6-4+,9-8+,25-18+/t27-,28+,29+,32+,36+/m0/s1 | Definition date: | 2022-08-17 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide |
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![UHP UHP](https://data.pdbj.org/pdbjplus/data/cc/svg/UHP.svg) | UHP | Name: | (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside | Formula: | C51 H85 N7 O17 | SMILES: | [O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)Cn1cc(nn1)CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O | InChi: | InChI=1S/C51H85N7O17/c1-14-38-51(10,67)44(63)31(6)55(11)22-27(2)20-49(8,66)46(29(4)43(30(5)47(65)73-38)74-40-21-50(9,70-13)45(64)32(7)72-40)75-48-42(62)37(19-28(3)71-48)56(12)23-34-24-57(54-53-34)25-39(60)52-36(26-59)41(61)33-15-17-35(18-16-33)58(68)69/h15-18,24,27-32,36-38,40-46,48,59,61-64,66-67H,14,19-23,25-26H2,1-13H3,(H,52,60)/t27-,28-,29+,30-,31-,32+,36-,37+,38-,40+,41-,42-,43+,44-,45+,46-,48+,49-,50-,51-/m1/s1 | Definition date: | 2022-08-18 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside |
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![UIU UIU](https://data.pdbj.org/pdbjplus/data/cc/svg/UIU.svg) | UIU | Name: | N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide | Formula: | C59 H85 F N8 O14 S | SMILES: | Oc1ccc(cc1)CC(NC(C)=O)C(=O)NC(CCSC)C(=O)Nc1cccc(c1)c1cn(nn1)CCCCN1C(=O)OC2(C)C(OC(=O)C(C)(F)C(=O)C(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)(OC)CC(C)C(=O)C(C)C12)CC | InChi: | InChI=1S/C59H85FN8O14S/c1-14-46-59(9)49(35(4)47(71)33(2)31-57(7,78-12)51(36(5)50(73)58(8,60)55(76)80-46)81-54-48(72)45(66(10)11)28-34(3)79-54)68(56(77)82-59)26-16-15-25-67-32-44(64-65-67)39-18-17-19-40(30-39)62-52(74)42(24-27-83-13)63-53(75)43(61-37(6)69)29-38-20-22-41(70)23-21-38/h17-23,30,32-36,42-43,45-46,48-49,51,54,70,72H,14-16,24-29,31H2,1-13H3,(H,61,69)(H,62,74)(H,63,75)/t33-,34-,35+,36+,42+,43+,45+,46-,48-,49-,51-,54+,57-,58+,59-/m1/s1 | Synonyms: | L-linker solithromycin conjugate | Definition date: | 2022-08-19 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide |
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![UK3 UK3](https://data.pdbj.org/pdbjplus/data/cc/svg/UK3.svg) | UK3 | Name: | (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide | Formula: | C101 H135 F N16 O25 S | SMILES: | CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6ccc(O)cc6)NC(=O)[CH](CCCCN)NC(=O)[CH]7CCCN7C(=O)[CH](CO)NC(=O)[CH](Cc8c[nH]c9ccccc89)NC(=O)CN(CCCCNC(=O)c%10cccc(O)c%10O)C(=O)c%11cccc(O)c%11O)c5)C(=O)O[C]13C)OC | InChi: | InChI=1S/C101H135FN16O25S/c1-12-80-101(7)87(58(4)82(124)56(2)47-79(139-10)86(59(5)88(128)100(6,102)98(137)141-80)142-97-85(127)76(114(8)9)48-57(3)140-97)118(99(138)143-101)44-20-19-43-116-53-73(112-113-116)61-25-21-26-63(50-61)106-90(130)70(39-46-144-11)108-92(132)71(49-60-35-37-64(120)38-36-60)110-91(131)69(31-15-16-40-103)109-94(134)75-32-24-45-117(75)96(136)74(55-119)111-93(133)72(51-62-52-105-68-30-14-13-27-65(62)68)107-81(123)54-115(95(135)67-29-23-34-78(122)84(67)126)42-18-17-41-104-89(129)66-28-22-33-77(121)83(66)125/h13-14,21-23,25-30,33-38,50,52-53,56-59,69-72,74-76,79-80,85-87,97,105,119-122,125-127H,12,15-20,24,31-32,39-49,51,54-55,103H2,1-11H3,(H,104,129)(H,106,130)(H,107,123)(H,108,132)(H,109,134)(H,110,131)(H,111,133)/t56-,57-,58+,59-,69-,70-,71-,72-,74-,75-,76+,79-,80-,85-,86-,87-,97+,100+,101-/m1/s1 | Definition date: | 2022-08-19 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide |
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![YBP YBP](https://data.pdbj.org/pdbjplus/data/cc/svg/YBP.svg) | YBP | Name: | ~{N}-(8-chloranylquinolin-2-yl)propanamide | Formula: | C12 H11 Cl N2 O | SMILES: | CCC(=O)Nc1ccc2cccc(Cl)c2n1 | InChi: | InChI=1S/C12H11ClN2O/c1-2-11(16)14-10-7-6-8-4-3-5-9(13)12(8)15-10/h3-7H,2H2,1H3,(H,14,15,16) | Definition date: | 2023-06-13 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | ~{N}-(8-chloranylquinolin-2-yl)propanamide |
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![YSI YSI](https://data.pdbj.org/pdbjplus/data/cc/svg/YSI.svg) | YSI | Name: | (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile | Formula: | C20 H24 N8 | SMILES: | Cn1cc(cn1)Nc1ncc(C)c(n1)c1cn(nc1)C(CC#N)C1CCCC1 | InChi: | InChI=1S/C20H24N8/c1-14-9-22-20(25-17-11-23-27(2)13-17)26-19(14)16-10-24-28(12-16)18(7-8-21)15-5-3-4-6-15/h9-13,15,18H,3-7H2,1-2H3,(H,22,25,26)/t18-/m1/s1 | Definition date: | 2023-02-17 | Last modified: | 2023-06-16 | Release date: | 2023-06-21 | Identifier: | (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile |
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![YCT YCT](https://data.pdbj.org/pdbjplus/data/cc/svg/YCT.svg) | YCT | Name: | 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate | Formula: | C17 H34 N3 O9 P | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCOC(=O)C(N)CC(C)C | InChi: | InChI=1S/C17H34N3O9P/c1-11(2)9-12(18)16(24)28-8-7-19-13(21)5-6-20-15(23)14(22)17(3,4)10-29-30(25,26)27/h11-12,14,22H,5-10,18H2,1-4H3,(H,19,21)(H,20,23)(H2,25,26,27)/t12-,14-/m0/s1 | Definition date: | 2023-01-24 | Last modified: | 2023-06-16 | Release date: | 2023-06-21 | Identifier: | 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate |
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![WPT WPT](https://data.pdbj.org/pdbjplus/data/cc/svg/WPT.svg) | WPT | Name: | 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid | Formula: | C22 H21 N O3 | SMILES: | O=C(O)CCc1ccc(cc1)NCc1cc(Oc2ccccc2)ccc1 | InChi: | InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25) | Definition date: | 2022-10-11 | Last modified: | 2023-06-16 | Release date: | 2023-06-21 | Identifier: | 3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid |
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![KQ0 KQ0](https://data.pdbj.org/pdbjplus/data/cc/svg/KQ0.svg) | KQ0 | Name: | 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine | Formula: | C18 H19 N3 O S | SMILES: | COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4sccc4 | InChi: | InChI=1S/C18H19N3OS/c1-22-15-6-4-14(5-7-15)18(8-9-18)19-11-13-12-20-21-17(13)16-3-2-10-23-16/h2-7,10,12,19H,8-9,11H2,1H3,(H,20,21) | Definition date: | 2022-06-01 | Last modified: | 2023-06-16 | Release date: | 2023-06-21 | Identifier: | 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine |
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![I6C I6C](https://data.pdbj.org/pdbjplus/data/cc/svg/I6C.svg) | I6C | Name: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide | Formula: | C32 H34 F3 N7 O2 | SMILES: | FC(F)(F)c1cc(cc(CN2CCN(CC)CC2)c1)NC(=O)c1cc(c2ccc3nc(cn3n2)NC(=O)C2CC2)c(C)cc1 | InChi: | InChI=1S/C32H34F3N7O2/c1-3-40-10-12-41(13-11-40)18-21-14-24(32(33,34)35)17-25(15-21)36-31(44)23-5-4-20(2)26(16-23)27-8-9-29-37-28(19-42(29)39-27)38-30(43)22-6-7-22/h4-5,8-9,14-17,19,22H,3,6-7,10-13,18H2,1-2H3,(H,36,44)(H,38,43) | Definition date: | 2022-01-14 | Last modified: | 2023-06-16 | Release date: | 2023-06-21 | Identifier: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide |
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![WZ8 WZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/WZ8.svg) | WZ8 | Name: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine | Formula: | C23 H28 N8 O | SMILES: | CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12 | InChi: | InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m1/s1 | Definition date: | 2023-05-24 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 2-[(3~{R})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine |
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![WJ3 WJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/WJ3.svg) | WJ3 | Name: | 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol | Formula: | C9 H4 Cl2 F6 O2 | SMILES: | Clc1cc(cc(Cl)c1O)C(O)(C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C9H4Cl2F6O2/c10-4-1-3(2-5(11)6(4)18)7(19,8(12,13)14)9(15,16)17/h1-2,18-19H | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol |
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![VLQ VLQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VLQ.svg) | VLQ | Name: | 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid | Formula: | C19 H16 Cl N O2 | SMILES: | O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1 | InChi: | InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid |
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![VM8 VM8](https://data.pdbj.org/pdbjplus/data/cc/svg/VM8.svg) | VM8 | Name: | 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline | Formula: | C21 H20 N2 | SMILES: | CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24 | InChi: | InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3 | Definition date: | 2023-03-20 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline |
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![T6I T6I](https://data.pdbj.org/pdbjplus/data/cc/svg/T6I.svg) | T6I | Name: | (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid | Formula: | C23 H26 F N O3 | SMILES: | C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O | InChi: | InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1 | Definition date: | 2023-04-20 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
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![WL0 WL0](https://data.pdbj.org/pdbjplus/data/cc/svg/WL0.svg) | WL0 | Name: | 3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid | Formula: | C11 H12 N2 O3 S4 | SMILES: | S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O | InChi: | InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16) | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid |
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![WNB WNB](https://data.pdbj.org/pdbjplus/data/cc/svg/WNB.svg) | WNB | Name: | (1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid | Formula: | C19 H16 Cl N O2 | SMILES: | O=C(O)C1CC1c1cc2ccccc2n1Cc1cccc(Cl)c1 | InChi: | InChI=1S/C19H16ClNO2/c20-14-6-3-4-12(8-14)11-21-17-7-2-1-5-13(17)9-18(21)15-10-16(15)19(22)23/h1-9,15-16H,10-11H2,(H,22,23)/t15-,16-/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid |
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![XKK XKK](https://data.pdbj.org/pdbjplus/data/cc/svg/XKK.svg) | XKK | Name: | 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] 2-aminoethenoadenosine | Formula: | C23 H24 N8 O7 S | SMILES: | Nc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O | InChi: | InChI=1S/C23H24N8O7S/c24-23-28-21-17(20-25-7-8-30(20)23)27-11-31(21)22-19(34)18(33)15(38-22)10-37-39(35,36)29-16(32)6-5-12-9-26-14-4-2-1-3-13(12)14/h1-4,7-9,11,15,18-19,22,26,33-34H,5-6,10H2,(H2,24,28)(H,29,32)/t15-,18-,19-,22-/m1/s1 | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate | Definition date: | 2023-06-07 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(5-azanylimidazo[2,1-f]purin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate |
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![XKO XKO](https://data.pdbj.org/pdbjplus/data/cc/svg/XKO.svg) | XKO | Name: | 5'-O-[N-(3-Indolepropionic acid)sulfamoyl] N2-methyl-2-aminoethenoadenosine | Formula: | C24 H26 N8 O7 S | SMILES: | CNc1nc2n(cnc2c3nccn13)[CH]4O[CH](CO[S](=O)(=O)NC(=O)CCc5c[nH]c6ccccc56)[CH](O)[CH]4O | InChi: | InChI=1S/C24H26N8O7S/c1-25-24-29-22-18(21-26-8-9-31(21)24)28-12-32(22)23-20(35)19(34)16(39-23)11-38-40(36,37)30-17(33)7-6-13-10-27-15-5-3-2-4-14(13)15/h2-5,8-10,12,16,19-20,23,27,34-35H,6-7,11H2,1H3,(H,25,29)(H,30,33)/t16-,19-,20-,23-/m1/s1 | Synonyms: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate | Definition date: | 2023-06-07 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[5-(methylamino)imidazo[2,1-f]purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[3-(1~{H}-indol-3-yl)propanoyl]sulfamate |
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![UV3 UV3](https://data.pdbj.org/pdbjplus/data/cc/svg/UV3.svg) | UV3 | Name: | 7-bromo-L-tryptophan | Formula: | C11 H11 Br N2 O2 | SMILES: | N[CH](Cc1c[nH]c2c(Br)cccc12)C(O)=O | InChi: | InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 | Definition date: | 2023-02-14 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2~{S})-2-azanyl-3-(7-bromanyl-1~{H}-indol-3-yl)propanoic acid |
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![Q1I Q1I](https://data.pdbj.org/pdbjplus/data/cc/svg/Q1I.svg) | Q1I | Name: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine | Formula: | C22 H28 N6 | SMILES: | CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1 | InChi: | InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27) | Definition date: | 2023-05-05 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine |
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![SW6 SW6](https://data.pdbj.org/pdbjplus/data/cc/svg/SW6.svg) | SW6 | Name: | 2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate | Formula: | C16 H22 N3 O5 P S | SMILES: | CCC(=O)c1sc(CCO[P](O)(O)=O)c(C)c1Cc2cnc(C)nc2N | InChi: | InChI=1S/C16H22N3O5PS/c1-4-13(20)15-12(7-11-8-18-10(3)19-16(11)17)9(2)14(26-15)5-6-24-25(21,22)23/h8H,4-7H2,1-3H3,(H2,17,18,19)(H2,21,22,23) | Definition date: | 2022-12-19 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | 2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate |
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![WQL WQL](https://data.pdbj.org/pdbjplus/data/cc/svg/WQL.svg) | WQL | Name: | (5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione | Formula: | C18 H22 N2 O4 | SMILES: | CC(C)C1(CC=C)C(=O)N(Cc2ccc(OC)cc2)C(=O)NC1=O | InChi: | InChI=1S/C18H22N2O4/c1-5-10-18(12(2)3)15(21)19-17(23)20(16(18)22)11-13-6-8-14(24-4)9-7-13/h5-9,12H,1,10-11H2,2-4H3,(H,19,21,23)/t18-/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (5S)-1-[(4-methoxyphenyl)methyl]-5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione |
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![UXR UXR](https://data.pdbj.org/pdbjplus/data/cc/svg/UXR.svg) | UXR | Name: | (2S)-2-phosphonopropanoic acid | Formula: | C3 H7 O5 P | SMILES: | O=C(O)C(C)P(=O)(O)O | InChi: | InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1 | Definition date: | 2022-08-28 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (2S)-2-phosphonopropanoic acid |
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![W95 W95](https://data.pdbj.org/pdbjplus/data/cc/svg/W95.svg) | W95 | Name: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid | Formula: | C15 H24 O4 | SMILES: | O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O | InChi: | InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1 | Definition date: | 2023-05-09 | Last modified: | 2023-06-09 | Release date: | 2023-06-14 | Identifier: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid |
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