![1I7 1I7](https://data.pdbj.org/pdbjplus/data/cc/svg/1I7.svg) | 1I7 | Name: | Argyrin B | Formula: | C41 H46 N10 O8 S | SMILES: | CC[CH]1NC(=O)CNC(=O)[CH](Cc2c[nH]c3cccc(OC)c23)NC(=O)[CH](Cc4c[nH]c5ccccc45)NC(=O)c6csc(n6)[CH](C)NC(=O)CN(C)C(=O)C(=C)NC1=O | InChi: | InChI=1S/C41H46N10O8S/c1-6-26-37(55)46-22(3)41(58)51(4)19-34(53)45-21(2)40-50-31(20-60-40)39(57)49-30(14-23-16-42-27-11-8-7-10-25(23)27)38(56)48-29(36(54)44-18-33(52)47-26)15-24-17-43-28-12-9-13-32(59-5)35(24)28/h7-13,16-17,20-21,26,29-30,42-43H,3,6,14-15,18-19H2,1-2,4-5H3,(H,44,54)(H,45,53)(H,46,55)(H,47,52)(H,48,56)(H,49,57)/t21-,26-,29+,30+/m1/s1 | Synonyms: | (4S,7S,13R,22R)-13-ethyl-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone | Definition date: | 2021-06-10 | Last modified: | 2022-05-06 | Release date: | 2022-05-11 | Identifier: | (4~{S},7~{S},13~{R},22~{R})-13-ethyl-4-(1~{H}-indol-3-ylmethyl)-7-[(4-methoxy-1~{H}-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone |
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![XUY XUY](https://data.pdbj.org/pdbjplus/data/cc/svg/XUY.svg) | XUY | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | Formula: | C28 H35 N3 O7 S2 | SMILES: | C(C(C(Cc1ccccc1)NC(OC2C3C(OC2)OCC3)=O)O)N(CC(C)C)S(c4ccc5c(c4)scn5)(=O)=O | InChi: | InChI=1S/C28H35N3O7S2/c1-18(2)14-31(40(34,35)20-8-9-22-26(13-20)39-17-29-22)15-24(32)23(12-19-6-4-3-5-7-19)30-28(33)38-25-16-37-27-21(25)10-11-36-27/h3-9,13,17-18,21,23-25,27,32H,10-12,14-16H2,1-2H3,(H,30,33)/t21-,23-,24+,25-,27+/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2022-04-22 | Release date: | 2022-04-27 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![2I3 2I3](https://data.pdbj.org/pdbjplus/data/cc/svg/2I3.svg) | 2I3 | Name: | 6-chloranylimidazo[2,1-b][1,3]thiazole | Formula: | C5 H3 Cl N2 S | SMILES: | Clc1cn2ccsc2n1 | InChi: | InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H | Definition date: | 2022-01-26 | Last modified: | 2022-04-22 | Release date: | 2022-04-27 | Identifier: | 6-chloranylimidazo[2,1-b][1,3]thiazole |
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![8DW 8DW](https://data.pdbj.org/pdbjplus/data/cc/svg/8DW.svg) | 8DW | Name: | 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine | Formula: | C22 H19 F N4 O5 S | SMILES: | COc1ccc(O[S](F)(=O)=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C | InChi: | InChI=1S/C22H19FN4O5S/c1-27(2)22(28)15-6-13(9-24-10-15)14-7-18-19(12-26-21(18)25-11-14)17-8-16(32-33(23,29)30)4-5-20(17)31-3/h4-12H,1-3H3,(H,25,26) | Definition date: | 2021-12-09 | Last modified: | 2022-04-22 | Release date: | 2022-04-27 | Identifier: | 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1~{H}-pyrrolo[2,3-b]pyridine |
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![8IW 8IW](https://data.pdbj.org/pdbjplus/data/cc/svg/8IW.svg) | 8IW | Name: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide | Formula: | C23 H20 N4 O4 | SMILES: | COc1cc(O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C | InChi: | InChI=1S/C23H20N4O4/c1-27(2)23(30)15-4-13(8-24-9-15)14-5-18-19(11-26-22(18)25-10-14)17-6-16(12-28)20(29)7-21(17)31-3/h4-12,29H,1-3H3,(H,25,26) | Definition date: | 2021-12-17 | Last modified: | 2022-04-22 | Release date: | 2022-04-27 | Identifier: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide |
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![YWM YWM](https://data.pdbj.org/pdbjplus/data/cc/svg/YWM.svg) | YWM | Name: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | Formula: | C34 H51 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2021-04-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate |
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![YWP YWP](https://data.pdbj.org/pdbjplus/data/cc/svg/YWP.svg) | YWP | Name: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | Formula: | C34 H51 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29+,30+,31-,32+,33-/m1/s1 | Definition date: | 2021-04-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate |
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![YWS YWS](https://data.pdbj.org/pdbjplus/data/cc/svg/YWS.svg) | YWS | Name: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | Formula: | C35 H53 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C35H53N2O12PS/c1-6-24(4)20-37(51(42,43)29-15-11-27(12-16-29)25(5)38)21-32(39)31(36-35(40)49-33-22-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-23-50(41,47-7-2)48-8-3/h9-16,24-25,30-34,38-39H,6-8,17-23H2,1-5H3,(H,36,40)/t24-,25-,30-,31-,32+,33-,34+/m0/s1 | Definition date: | 2021-04-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate |
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![0IP 0IP](https://data.pdbj.org/pdbjplus/data/cc/svg/0IP.svg) | 0IP | Name: | Terretonin C | Formula: | C24 H30 O7 | SMILES: | C[CH]1OC(=O)[CH]2[C](C)(C(=C)C[C]3(O)[C]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C]23C)C1=O | InChi: | InChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m0/s1 | Definition date: | 2021-06-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{S},4~{a}~{S},4~{b}~{R},10~{a}~{R},10~{b}~{R},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-6,10~{b}-bis(oxidanyl)-4~{a},9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone |
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![05J 05J](https://data.pdbj.org/pdbjplus/data/cc/svg/05J.svg) | 05J | Name: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C29 H34 N8 O2 | SMILES: | CN1CCN(CC1)c1ccc(cc1)Nc1ncc2C(=O)N(CC=C)N(c2n1)c1ccc2CCC(O)(CC)c2n1 | InChi: | InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1 | Definition date: | 2021-06-02 | Last modified: | 2022-04-07 | Release date: | 2021-09-01 | Identifier: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![XZD XZD](https://data.pdbj.org/pdbjplus/data/cc/svg/XZD.svg) | XZD | Name: | Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester | Formula: | C46 H53 Cl N7 O11 P S | SMILES: | Clc1ccc(cc1)C=1CC(C)(C)CCC=1CN1CCN(CC1)c1ccc(c(OC=2C=C3C=CN=C3N(COP(=O)(O)O)C=2)c1)C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)[N+]([O-])=O | InChi: | InChI=1S/C46H53ClN7O11PS/c1-46(2)15-11-34(40(26-46)32-3-5-35(47)6-4-32)28-51-17-19-52(20-18-51)36-7-9-39(43(24-36)65-37-23-33-12-16-48-44(33)53(29-37)30-64-66(58,59)60)45(55)50-67(61,62)38-8-10-41(42(25-38)54(56)57)49-27-31-13-21-63-22-14-31/h3-10,12,16,23-25,29,31,49H,11,13-15,17-22,26-28,30H2,1-2H3,(H,50,55)(H2,58,59,60) | Definition date: | 2021-01-22 | Last modified: | 2022-04-05 | Release date: | 2021-04-14 | Identifier: | [(3aP)-5-(5-{4-[(4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-2-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)carbamoyl]phenoxy)-7H-pyrrolo[2,3-b]pyridin-7-yl]methyl dihydrogen phosphate |
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![YTY YTY](https://data.pdbj.org/pdbjplus/data/cc/svg/YTY.svg) | YTY | Name: | diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C36 H55 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C36H55N2O12PS/c1-6-26(7-2)21-38(52(43,44)30-16-12-28(13-17-30)25(5)39)22-33(40)32(37-36(41)50-34-23-46-35-31(34)18-19-45-35)20-27-10-14-29(15-11-27)47-24-51(42,48-8-3)49-9-4/h10-17,25-26,31-35,39-40H,6-9,18-24H2,1-5H3,(H,37,41)/t25-,31-,32-,33+,34-,35+/m0/s1 | Definition date: | 2021-03-31 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![YUM YUM](https://data.pdbj.org/pdbjplus/data/cc/svg/YUM.svg) | YUM | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate | Formula: | C34 H45 N3 O9 S2 | SMILES: | Cc1nc(COc2ccc(CC(NC(=O)OC3COC4OCCC43)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(cc3)C(C)O)cc2)cs1 | InChi: | InChI=1S/C34H45N3O9S2/c1-21(2)16-37(48(41,42)28-11-7-25(8-12-28)22(3)38)17-31(39)30(36-34(40)46-32-19-45-33-29(32)13-14-43-33)15-24-5-9-27(10-6-24)44-18-26-20-47-23(4)35-26/h5-12,20-22,29-33,38-39H,13-19H2,1-4H3,(H,36,40)/t22-,29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate |
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![YUP YUP](https://data.pdbj.org/pdbjplus/data/cc/svg/YUP.svg) | YUP | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate | Formula: | C29 H38 F2 N2 O8 S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C29H38F2N2O8S/c1-17(2)14-33(42(37,38)23-6-4-20(5-7-23)18(3)34)15-26(35)25(12-19-10-21(30)13-22(31)11-19)32-29(36)41-27-16-40-28-24(27)8-9-39-28/h4-7,10-11,13,17-18,24-28,34-35H,8-9,12,14-16H2,1-3H3,(H,32,36)/t18-,24-,25-,26+,27-,28+/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate |
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![UUE UUE](https://data.pdbj.org/pdbjplus/data/cc/svg/UUE.svg) | UUE | Name: | 8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene | Formula: | C21 H28 B F2 N5 | SMILES: | CCn1cc(CCCCC2=C3C(=CC(=[N+]3[B-](F)(F)n4c(C)cc(C)c24)C)C)nn1 | InChi: | InChI=1S/C21H28BF2N5/c1-6-27-13-18(25-26-27)9-7-8-10-19-20-14(2)11-16(4)28(20)22(23,24)29-17(5)12-15(3)21(19)29/h11-13H,6-10H2,1-5H3 | Definition date: | 2021-03-19 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | 8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene |
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![UUH UUH](https://data.pdbj.org/pdbjplus/data/cc/svg/UUH.svg) | UUH | Name: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol | Formula: | C26 H36 B F2 N5 O4 | SMILES: | Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCc4cn(C[CH]5[CH](O)C[CH](O)[CH](O)[CH]5O)nn4 | InChi: | InChI=1S/C26H36BF2N5O4/c1-14-9-16(3)33-23(14)19(24-15(2)10-17(4)34(24)27(33,28)29)8-6-5-7-18-12-32(31-30-18)13-20-21(35)11-22(36)26(38)25(20)37/h9-10,12,20-22,25-26,35-38H,5-8,11,13H2,1-4H3/t20-,21-,22-,25+,26+/m0/s1 | Definition date: | 2021-03-19 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol |
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![S0Q S0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/S0Q.svg) | S0Q | Name: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid | Formula: | C17 H20 B N3 O7 | SMILES: | CN1CCN(CC1=O)C(=O)CNC(=O)c2ccc3[CH](CC(O)=O)OB(O)c3c2 | InChi: | InChI=1S/C17H20BN3O7/c1-20-4-5-21(9-15(20)23)14(22)8-19-17(26)10-2-3-11-12(6-10)18(27)28-13(11)7-16(24)25/h2-3,6,13,27H,4-5,7-9H2,1H3,(H,19,26)(H,24,25)/t13-/m0/s1 | Synonyms: | 2-[(3S)-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid | Definition date: | 2020-11-04 | Last modified: | 2022-03-16 | Release date: | 2021-08-11 | Identifier: | 2-[(3~{S})-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
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![U2K U2K](https://data.pdbj.org/pdbjplus/data/cc/svg/U2K.svg) | U2K | Name: | 1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone | Formula: | C16 H15 N3 O2 | SMILES: | CC(=O)n1cc(c2ccccc12)c3c(C)nn4CCOc34 | InChi: | InChI=1S/C16H15N3O2/c1-10-15(16-19(17-10)7-8-21-16)13-9-18(11(2)20)14-6-4-3-5-12(13)14/h3-6,9H,7-8H2,1-2H3 | Definition date: | 2021-01-19 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | 1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone |
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![U4T U4T](https://data.pdbj.org/pdbjplus/data/cc/svg/U4T.svg) | U4T | Name: | 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid | Formula: | C13 H10 O2 S | SMILES: | OC(=O)c1sc2c(CCc3ccccc23)c1 | InChi: | InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15) | Synonyms: | 4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid | Definition date: | 2021-01-21 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid |
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![U5E U5E](https://data.pdbj.org/pdbjplus/data/cc/svg/U5E.svg) | U5E | Name: | N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide | Formula: | C14 H13 N O S | SMILES: | CNC(=O)c1sc2c(CCc3ccccc23)c1 | InChi: | InChI=1S/C14H13NOS/c1-15-14(16)12-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12/h2-5,8H,6-7H2,1H3,(H,15,16) | Synonyms: | ~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide | Definition date: | 2021-01-22 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | ~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide |
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![7U8 7U8](https://data.pdbj.org/pdbjplus/data/cc/svg/7U8.svg) | 7U8 | Name: | methyl 4-[5,6-bis(chloranyl)-1H-indol-3-yl]-3-(5-chloranyl-1H-indol-3-yl)-1H-pyrrole-2-carboxylate | Formula: | C22 H14 Cl3 N3 O2 | SMILES: | COC(=O)c1[nH]cc(c2c[nH]c3cc(Cl)c(Cl)cc23)c1c4c[nH]c5ccc(Cl)cc45 | InChi: | InChI=1S/C22H14Cl3N3O2/c1-30-22(29)21-20(14-8-26-18-3-2-10(23)4-11(14)18)15(9-28-21)13-7-27-19-6-17(25)16(24)5-12(13)19/h2-9,26-28H,1H3 | Synonyms: | Lynamicin B | Definition date: | 2021-10-26 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | methyl 4-[5,6-bis(chloranyl)-1~{H}-indol-3-yl]-3-(5-chloranyl-1~{H}-indol-3-yl)-1~{H}-pyrrole-2-carboxylate |
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![CN9 CN9](https://data.pdbj.org/pdbjplus/data/cc/svg/CN9.svg) | CN9 | Name: | 1-methyl-9H-pyrido[3,4-b]indole | Formula: | C12 H10 N2 | SMILES: | Cc1nccc2c3ccccc3[NH]c21 | InChi: | InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 | Synonyms: | harmane | Definition date: | 2021-11-22 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | 1-methyl-9H-pyrido[3,4-b]indole |
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![XU7 XU7](https://data.pdbj.org/pdbjplus/data/cc/svg/XU7.svg) | XU7 | Name: | (2S)-2-amino-4-boronobutanoic acid | Formula: | C4 H10 B N O4 | SMILES: | B(O)(CCC(C(O)=O)N)O | InChi: | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1 | Definition date: | 2021-01-13 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2S)-2-amino-4-boronobutanoic acid |
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![XUJ XUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XUJ.svg) | XUJ | Name: | (2R)-2-amino-4-boronobutanoic acid | Formula: | C4 H10 B N O4 | SMILES: | B(O)(CCC(C(O)=O)N)O | InChi: | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | (2R)-2-amino-4-boronobutanoic acid |
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![R1W R1W](https://data.pdbj.org/pdbjplus/data/cc/svg/R1W.svg) | R1W | Name: | ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | Formula: | C28 H30 Cl N5 O | SMILES: | CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35) | Definition date: | 2020-08-25 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide |
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