![RKZ RKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RKZ.svg) | RKZ | Name: | 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | Formula: | C21 H22 N6 O | SMILES: | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4 | InChi: | InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1 | Definition date: | 2020-10-01 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
|
![RNZ RNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RNZ.svg) | RNZ | Name: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium | Formula: | C29 H37 N2 O2 | SMILES: | CC(C)(C)C[NH2+]C[CH](O)[CH](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/p+1/t25-,26+/m0/s1 | Definition date: | 2020-10-14 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium |
|
![VDW VDW](https://data.pdbj.org/pdbjplus/data/cc/svg/VDW.svg) | VDW | Name: | [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium | Formula: | C10 H18 N3 O6 S | SMILES: | [NH3+][CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O | InChi: | InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1 | Definition date: | 2021-05-07 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium |
|
![Q5B Q5B](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5B.svg) | Q5B | Name: | (3S)-citryl-Coenzyme A | Formula: | C27 H42 N7 O22 P3 S | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[C](O)(CC(O)=O)C(O)=O | InChi: | InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1 | Synonyms: | (2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid | Definition date: | 2020-05-18 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | (2~{S})-2-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid |
|
![Q5E Q5E](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5E.svg) | Q5E | Name: | 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione | Formula: | C15 H13 Cl6 N O4 | SMILES: | OC(=O)CCCCCN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl | InChi: | InChI=1S/C15H13Cl6NO4/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(25)22(12(8)26)5-3-1-2-4-6(23)24/h7-8H,1-5H2,(H,23,24)/t7-,8+,13+,14- | Synonyms: | 6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-
en-4-yl]hexanoic acid | Definition date: | 2020-05-18 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | 6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]hexanoic acid |
|
![VH4 VH4](https://data.pdbj.org/pdbjplus/data/cc/svg/VH4.svg) | VH4 | Name: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Formula: | C22 H29 F N4 O2 | SMILES: | C1C(CCC(C(C)(O)C)C1)NC(=O)N2CCc3c(C2)cnn3c4cccc(c4)F | InChi: | InChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28)/t16-,18- | Definition date: | 2020-08-12 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
|
![VH7 VH7](https://data.pdbj.org/pdbjplus/data/cc/svg/VH7.svg) | VH7 | Name: | N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide | Formula: | C23 H27 N3 O2 | SMILES: | C1C(CCC(C(C)(O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4 | InChi: | InChI=1S/C23H27N3O2/c1-23(2,28)18-9-11-19(12-10-18)24-22(27)17-8-13-21-25-20(15-26(21)14-17)16-6-4-3-5-7-16/h3-8,13-15,18-19,28H,9-12H2,1-2H3,(H,24,27)/t18-,19- | Definition date: | 2020-08-12 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide |
|
![EA9 EA9](https://data.pdbj.org/pdbjplus/data/cc/svg/EA9.svg) | EA9 | Name: | (4R)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one | Formula: | C27 H26 N4 O4 | SMILES: | CCCOc1ccc(cc1OC)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24 | InChi: | InChI=1S/C27H26N4O4/c1-3-13-35-21-11-10-18(14-22(21)34-2)26-23-24(19-8-4-5-9-20(19)32)29-30-25(23)27(33)31(26)16-17-7-6-12-28-15-17/h4-12,14-15,26,32H,3,13,16H2,1-2H3,(H,29,30)/t26-/m1/s1 | Definition date: | 2019-12-03 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | (4~{R})-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one |
|
![EAF EAF](https://data.pdbj.org/pdbjplus/data/cc/svg/EAF.svg) | EAF | Name: | (4R)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one | Formula: | C25 H22 N4 O3 | SMILES: | CCOc1ccc(cc1)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24 | InChi: | InChI=1S/C25H22N4O3/c1-2-32-18-11-9-17(10-12-18)24-21-22(19-7-3-4-8-20(19)30)27-28-23(21)25(31)29(24)15-16-6-5-13-26-14-16/h3-14,24,30H,2,15H2,1H3,(H,27,28)/t24-/m1/s1 | Definition date: | 2019-12-03 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | (4~{R})-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one |
|
![FJX FJX](https://data.pdbj.org/pdbjplus/data/cc/svg/FJX.svg) | FJX | Name: | 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol | Formula: | C13 H9 Br Cl N5 O3 | SMILES: | Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br)c2n1 | InChi: | InChI=1S/C13H9BrClN5O3/c14-6-2-8-7(22-4-23-8)1-5(6)3-20-11-9(17-13(20)21)10(15)18-12(16)19-11/h1-2H,3-4H2,(H,17,21)(H2,16,18,19) | Definition date: | 2020-05-27 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol |
|
![FK0 FK0](https://data.pdbj.org/pdbjplus/data/cc/svg/FK0.svg) | FK0 | Name: | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol | Formula: | C12 H8 Br Cl F N5 O | SMILES: | Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1 | InChi: | InChI=1S/C12H8BrClFN5O/c13-6-2-1-5(7(15)3-6)4-20-10-8(17-12(20)21)9(14)18-11(16)19-10/h1-3H,4H2,(H,17,21)(H2,16,18,19) | Definition date: | 2020-05-27 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol |
|
![DG4 DG4](https://data.pdbj.org/pdbjplus/data/cc/svg/DG4.svg) | DG4 | Name: | phosphono (2S)-2-oxidanyl-3-phosphonooxy-propanoate | Formula: | C3 H8 O10 P2 | SMILES: | O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O | InChi: | InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1 | Synonyms: | glycerate 1,3-biphosphate | Definition date: | 2008-12-18 | Last modified: | 2021-05-21 | Release date: | 2021-05-26 | Identifier: | phosphono (2~{S})-2-oxidanyl-3-phosphonooxy-propanoate |
|
![RYT RYT](https://data.pdbj.org/pdbjplus/data/cc/svg/RYT.svg) | RYT | Name: | pentadecaphosphate | Formula: | H17 O46 P15 | SMILES: | O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O | InChi: | InChI=1S/H17O46P15/c1-47(2,3)33-49(7,8)35-51(11,12)37-53(15,16)39-55(19,20)41-57(23,24)43-59(27,28)45-61(31,32)46-60(29,30)44-58(25,26)42-56(21,22)40-54(17,18)38-52(13,14)36-50(9,10)34-48(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,1,2,3)(H2,4,5,6) | Synonyms: | bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate | Definition date: | 2020-11-04 | Last modified: | 2021-05-20 | Release date: | 2021-05-19 | Identifier: | bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate |
|
![XE7 XE7](https://data.pdbj.org/pdbjplus/data/cc/svg/XE7.svg) | XE7 | Name: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide | Formula: | C19 H19 F3 N6 O2 | SMILES: | c1cc(C(F)(F)F)ncc1Cc3cnc(C(NC(C)c2cc(nn2)C(N)=O)=O)c3C | InChi: | InChI=1S/C19H19F3N6O2/c1-9-12(5-11-3-4-15(24-7-11)19(20,21)22)8-25-16(9)18(30)26-10(2)13-6-14(17(23)29)28-27-13/h3-4,6-8,10,25H,5H2,1-2H3,(H2,23,29)(H,26,30)(H,27,28)/t10-/m1/s1 | Definition date: | 2020-12-14 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide |
|
![QOB QOB](https://data.pdbj.org/pdbjplus/data/cc/svg/QOB.svg) | QOB | Name: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide | Formula: | C26 H40 N4 O6 | SMILES: | C[CH](O)[CH](NC(=O)CCCCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O | InChi: | InChI=1S/C26H40N4O6/c1-17-12-13-22(33)27-15-14-20(32)16-21(25(35)28-17)29-26(36)24(18(2)31)30-23(34)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21,24,31-32H,6-7,10-16H2,1-2H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t17-,18+,20-,21-,24-/m0/s1 | Synonyms: | Syrbactin inhibitor | Definition date: | 2020-07-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide |
|
![QOE QOE](https://data.pdbj.org/pdbjplus/data/cc/svg/QOE.svg) | QOE | Name: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide | Formula: | C24 H36 N4 O6 | SMILES: | C[CH](O)[CH](NC(=O)CCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O | InChi: | InChI=1S/C24H36N4O6/c1-15-8-10-20(31)25-13-12-18(30)14-19(23(33)26-15)27-24(34)22(16(2)29)28-21(32)11-9-17-6-4-3-5-7-17/h3-7,15-16,18-19,22,29-30H,8-14H2,1-2H3,(H,25,31)(H,26,33)(H,27,34)(H,28,32)/t15-,16+,18-,19-,22-/m0/s1 | Synonyms: | HB335 | Definition date: | 2020-07-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide |
|
![QOH QOH](https://data.pdbj.org/pdbjplus/data/cc/svg/QOH.svg) | QOH | Name: | 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide | Formula: | C28 H52 N4 O6 | SMILES: | CC(C)CCCCCCCCCC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)CC[CH](C)NC1=O | InChi: | InChI=1S/C28H52N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h19-23,26,33-34H,5-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/t20-,21+,22-,23-,26-/m0/s1 | Synonyms: | Syrbactin inhibitor | Definition date: | 2020-07-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide |
|
![YGJ YGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YGJ.svg) | YGJ | Name: | 4-(2-phenylethoxy)phenol | Formula: | C14 H14 O2 | SMILES: | Oc1ccc(OCCc2ccccc2)cc1 | InChi: | InChI=1S/C14H14O2/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2 | Definition date: | 2021-03-03 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-(2-phenylethoxy)phenol |
|
![YGM YGM](https://data.pdbj.org/pdbjplus/data/cc/svg/YGM.svg) | YGM | Name: | (but-3-en-1-yl)benzene | Formula: | C10 H12 | SMILES: | C=CCCc1ccccc1 | InChi: | InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2 | Definition date: | 2021-03-03 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (but-3-en-1-yl)benzene |
|
![YGV YGV](https://data.pdbj.org/pdbjplus/data/cc/svg/YGV.svg) | YGV | Name: | 1-chloro-2-(methylsulfanyl)benzene | Formula: | C7 H7 Cl S | SMILES: | CSc1ccccc1Cl | InChi: | InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 | Definition date: | 2021-03-03 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 1-chloro-2-(methylsulfanyl)benzene |
|
![UEJ UEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UEJ.svg) | UEJ | Name: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide | Formula: | C33 H25 F N6 O5 S | SMILES: | c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O)Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC)c3)O)C(c5c6)=O | InChi: | InChI=1S/C33H25FN6O5S/c1-17(41)36-26-15-19(12-13-35-26)29-28(38-33(39-29)46-2)18-6-5-7-20(14-18)37-30(43)27-23(25(42)11-10-24(27)34)16-40-31(44)21-8-3-4-9-22(21)32(40)45/h3-15,42H,16H2,1-2H3,(H,37,43)(H,38,39)(H,35,36,41) | Definition date: | 2020-05-12 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide |
|
![M8T M8T](https://data.pdbj.org/pdbjplus/data/cc/svg/M8T.svg) | M8T | Name: | 2'-fluoro-,3',3'-c-di-AMP | Formula: | C20 H22 F2 N10 O10 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C20H22F2N10O10P2/c21-9-13-7(39-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-/m1/s1 | Definition date: | 2019-10-07 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine |
|
![VP7 VP7](https://data.pdbj.org/pdbjplus/data/cc/svg/VP7.svg) | VP7 | Name: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol | Formula: | C20 H20 N4 O | SMILES: | n1cc2c(nc1N)c3c(CCC2)nc4c3cc(C#CC(C)(C)O)cc4 | InChi: | InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | Definition date: | 2020-08-31 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol |
|
![ZNV ZNV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNV.svg) | ZNV | Name: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene | Formula: | C9 H9 F O | SMILES: | Fc1ccccc1OCC=C | InChi: | InChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2 | Definition date: | 2021-05-12 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene |
|
![Y2A Y2A](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2A.svg) | Y2A | Name: | (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid | Formula: | C6 H9 O10 P | SMILES: | C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O | InChi: | InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1 | Definition date: | 2021-01-28 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid |
|