![BVZ BVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BVZ.svg) | BVZ | Name: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide | Formula: | C21 H25 B N3 O5 S | SMILES: | O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 | InChi: | InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1 | Definition date: | 2017-10-19 | Last modified: | 2019-10-18 | Release date: | 2018-10-31 | Identifier: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide |
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![G6W G6W](https://data.pdbj.org/pdbjplus/data/cc/svg/G6W.svg) | G6W | Name: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide | Formula: | C14 H17 N5 O2 S | SMILES: | CC(=O)c1nc(NC(=O)C(C)(C)N)sc1c2cncc(N)c2 | InChi: | InChI=1S/C14H17N5O2S/c1-7(20)10-11(8-4-9(15)6-17-5-8)22-13(18-10)19-12(21)14(2,3)16/h4-6H,15-16H2,1-3H3,(H,18,19,21) | Definition date: | 2018-08-29 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide |
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![L0N L0N](https://data.pdbj.org/pdbjplus/data/cc/svg/L0N.svg) | L0N | Name: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Formula: | C30 H36 N6 O2 | SMILES: | CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OCC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C30H36N6O2/c1-5-25(37)33-23-8-6-7-22(17-23)26-27-29(31-19-32-30(27)38-18-20(2)3)34-28(26)21-9-11-24(12-10-21)36-15-13-35(4)14-16-36/h6-12,17,19-20H,5,13-16,18H2,1-4H3,(H,33,37)(H,31,32,34) | Definition date: | 2019-07-09 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
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![L0Q L0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/L0Q.svg) | L0Q | Name: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Formula: | C29 H34 N6 O2 | SMILES: | CCC(=O)Nc1cccc(c1)c2c([nH]c3ncnc(OC(C)C)c23)c4ccc(cc4)N5CCN(C)CC5 | InChi: | InChI=1S/C29H34N6O2/c1-5-24(36)32-22-8-6-7-21(17-22)25-26-28(30-18-31-29(26)37-19(2)3)33-27(25)20-9-11-23(12-10-20)35-15-13-34(4)14-16-35/h6-12,17-19H,5,13-16H2,1-4H3,(H,32,36)(H,30,31,33) | Definition date: | 2019-07-09 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
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![K5T K5T](https://data.pdbj.org/pdbjplus/data/cc/svg/K5T.svg) | K5T | Name: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid | Formula: | C27 H47 N11 O11 | SMILES: | C[CH](N)C(=O)N[CH](CCC(=O)N[CH](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[CH](C)C(O)=O)C(N)=O | InChi: | InChI=1S/C27H47N11O11/c1-14(29)25(46)38-16(24(30)45)6-7-18(39)37-17(26(47)36-15(2)27(48)49)5-3-4-8-31-20(41)10-33-22(43)12-35-23(44)13-34-21(42)11-32-19(40)9-28/h14-17H,3-13,28-29H2,1-2H3,(H2,30,45)(H,31,41)(H,32,40)(H,33,43)(H,34,42)(H,35,44)(H,36,47)(H,37,39)(H,38,46)(H,48,49)/t14-,15+,16+,17-/m0/s1 | Definition date: | 2019-04-26 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid |
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![L1W L1W](https://data.pdbj.org/pdbjplus/data/cc/svg/L1W.svg) | L1W | Name: | ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | Formula: | C39 H38 N6 O4 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)cc6)c7ccccc7)c2c1 | InChi: | InChI=1S/C39H38N6O4/c1-2-35(47)40-29-14-17-32-34(23-29)45(39(49)42-32)30-18-20-44(21-19-30)24-26-8-12-28(13-9-26)36-37(27-6-4-3-5-7-27)43-38(48)33(41-36)22-25-10-15-31(46)16-11-25/h3-17,23,30,46H,2,18-22,24H2,1H3,(H,40,47)(H,42,49)(H,43,48) | Definition date: | 2019-07-15 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
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![L1Z L1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/L1Z.svg) | L1Z | Name: | ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide | Formula: | C33 H34 N6 O3 | SMILES: | CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1 | InChi: | InChI=1S/C33H34N6O3/c1-3-29(40)35-25-13-14-27-28(19-25)39(33(42)36-27)26-15-17-38(18-16-26)20-22-9-11-24(12-10-22)31-30(23-7-5-4-6-8-23)34-21(2)32(41)37-31/h4-14,19,26H,3,15-18,20H2,1-2H3,(H,35,40)(H,36,42)(H,37,41) | Definition date: | 2019-07-15 | Last modified: | 2019-10-11 | Release date: | 2019-10-16 | Identifier: | ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide |
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![KAV KAV](https://data.pdbj.org/pdbjplus/data/cc/svg/KAV.svg) | KAV | Name: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide | Formula: | C23 H19 F3 N6 O2 | SMILES: | c1(ccc(cc1)C(F)(F)F)Nc5n(C)c4c(cc(Oc3cc(NC(C2CC2)=O)ncn3)cc4)n5 | InChi: | InChI=1S/C23H19F3N6O2/c1-32-18-9-8-16(34-20-11-19(27-12-28-20)31-21(33)13-2-3-13)10-17(18)30-22(32)29-15-6-4-14(5-7-15)23(24,25)26/h4-13H,2-3H2,1H3,(H,29,30)(H,27,28,31,33) | Definition date: | 2018-11-16 | Last modified: | 2019-10-04 | Release date: | 2019-10-09 | Identifier: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide |
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![M0B M0B](https://data.pdbj.org/pdbjplus/data/cc/svg/M0B.svg) | M0B | Name: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine | Formula: | C21 H20 F3 N3 O2 | SMILES: | CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4 | InChi: | InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3 | Definition date: | 2019-10-01 | Last modified: | 2019-10-04 | Release date: | 2019-10-09 | Identifier: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine |
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![M6M M6M](https://data.pdbj.org/pdbjplus/data/cc/svg/M6M.svg) | M6M | Name: | N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) | Formula: | C25 H31 F2 N5 O5 | SMILES: | c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N3C(C)CCCC3)=O)C | InChi: | InChI=1S/C25H31F2N5O5/c1-14-6-4-5-9-32(14)22(33)12-20(30-25(36)21-10-15(2)37-31-21)24(35)29-16(3)23(34)28-13-17-7-8-18(26)11-19(17)27/h7-8,10-11,14,16,20H,4-6,9,12-13H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)/t14-,16-,20-/m0/s1 | Definition date: | 2019-03-26 | Last modified: | 2019-10-04 | Release date: | 2019-10-09 | Identifier: | N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) |
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![M6Y M6Y](https://data.pdbj.org/pdbjplus/data/cc/svg/M6Y.svg) | M6Y | Name: | N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) | Formula: | C29 H31 F2 N5 O5 | SMILES: | c1c(onc1C(=O)NC(C(NC(C(NCc2ccc(F)cc2F)=O)C)=O)CC(N4CCCC4c3ccccc3)=O)C | InChi: | InChI=1S/C29H31F2N5O5/c1-17-13-24(35-41-17)29(40)34-23(15-26(37)36-12-6-9-25(36)19-7-4-3-5-8-19)28(39)33-18(2)27(38)32-16-20-10-11-21(30)14-22(20)31/h3-5,7-8,10-11,13-14,18,23,25H,6,9,12,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,40)/t18-,23-,25+/m0/s1 | Definition date: | 2019-03-26 | Last modified: | 2019-10-04 | Release date: | 2019-10-09 | Identifier: | N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name) |
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![DZ6 DZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ6.svg) | DZ6 | Name: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide | Formula: | C36 H37 N7 O | SMILES: | CC(C)c1cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)c5ccc(N)cc5)c2C)cc(c1)N6CCN(C)CC6 | InChi: | InChI=1S/C36H37N7O/c1-24(2)28-18-30(20-32(19-28)42-16-14-41(4)15-17-42)40-36(44)33-7-5-6-26(25(33)3)10-13-31-21-39-35-22-38-34(23-43(31)35)27-8-11-29(37)12-9-27/h5-9,11-12,18-24H,14-17,37H2,1-4H3,(H,40,44) | Definition date: | 2019-09-26 | Last modified: | 2019-10-04 | Release date: | 2019-10-09 | Identifier: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide |
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![FCZ FCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/FCZ.svg) | FCZ | Name: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | Formula: | C16 H17 N7 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc14 | InChi: | InChI=1S/C16H17N7O/c1-7(2)23-14-12(8(3)19-15(17)21-14)13(22-23)9-4-5-11-10(6-9)20-16(18)24-11/h4-7H,1-3H3,(H2,18,20)(H2,17,19,21) | Definition date: | 2018-06-21 | Last modified: | 2019-09-27 | Release date: | 2019-10-02 | Identifier: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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![FDH FDH](https://data.pdbj.org/pdbjplus/data/cc/svg/FDH.svg) | FDH | Name: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | Formula: | C15 H14 Cl N7 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(Cl)nc(N)nc14 | InChi: | InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21) | Definition date: | 2018-06-21 | Last modified: | 2019-09-27 | Release date: | 2019-10-02 | Identifier: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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![FDW FDW](https://data.pdbj.org/pdbjplus/data/cc/svg/FDW.svg) | FDW | Name: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine | Formula: | C15 H16 N8 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc(N)nc14 | InChi: | InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21) | Definition date: | 2018-06-21 | Last modified: | 2019-09-27 | Release date: | 2019-10-02 | Identifier: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
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![FE5 FE5](https://data.pdbj.org/pdbjplus/data/cc/svg/FE5.svg) | FE5 | Name: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | Formula: | C15 H15 N7 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14 | InChi: | InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) | Definition date: | 2018-06-21 | Last modified: | 2019-09-27 | Release date: | 2019-10-02 | Identifier: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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![KD7 KD7](https://data.pdbj.org/pdbjplus/data/cc/svg/KD7.svg) | KD7 | Name: | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide | Formula: | C33 H42 N8 O4 S2 | SMILES: | C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4 | InChi: | InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1 | Definition date: | 2018-11-20 | Last modified: | 2019-09-27 | Release date: | 2019-10-02 | Identifier: | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide |
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![OG4 OG4](https://data.pdbj.org/pdbjplus/data/cc/svg/OG4.svg) | OG4 | Name: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid | Formula: | C23 H21 N5 O4 | SMILES: | c14c(C(=O)NC(=N1)N)c(Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4 | InChi: | InChI=1S/C23H21N5O4/c24-23-27-20-19(22(32)28-23)16(12-25-20)11-13-5-7-15(8-6-13)21(31)26-17-4-2-1-3-14(17)9-10-18(29)30/h1-8,12H,9-11H2,(H,26,31)(H,29,30)(H4,24,25,27,28,32) | Definition date: | 2019-06-24 | Last modified: | 2019-09-27 | Release date: | 2019-10-02 | Identifier: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid |
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![KZK KZK](https://data.pdbj.org/pdbjplus/data/cc/svg/KZK.svg) | KZK | Name: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{H}-indol-3-yl)ethanamide | Formula: | C23 H27 N3 O4 S | SMILES: | COc1ccc(cc1NC(=O)Cc2c[nH]c3ccccc23)[S](=O)(=O)N4CCCCCC4 | InChi: | InChI=1S/C23H27N3O4S/c1-30-22-11-10-18(31(28,29)26-12-6-2-3-7-13-26)15-21(22)25-23(27)14-17-16-24-20-9-5-4-8-19(17)20/h4-5,8-11,15-16,24H,2-3,6-7,12-14H2,1H3,(H,25,27) | Definition date: | 2019-07-06 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{H}-indol-3-yl)ethanamide |
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![KZT KZT](https://data.pdbj.org/pdbjplus/data/cc/svg/KZT.svg) | KZT | Name: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide | Formula: | C24 H27 N3 O4 S | SMILES: | COc1ccc(cc1NC(=O)Cc2ccnc3ccccc23)[S](=O)(=O)N4CCCCCC4 | InChi: | InChI=1S/C24H27N3O4S/c1-31-23-11-10-19(32(29,30)27-14-6-2-3-7-15-27)17-22(23)26-24(28)16-18-12-13-25-21-9-5-4-8-20(18)21/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,28) | Definition date: | 2019-07-08 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide |
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![L0W L0W](https://data.pdbj.org/pdbjplus/data/cc/svg/L0W.svg) | L0W | Name: | lipopolysaccharide fragment | Formula: | C95 H182 N2 O25 P2 | SMILES: | CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH](CO)O[CH](O[P](O)(O)=O)[CH](COC(=O)C[CH](O)CCCCCCCCCCC)NC(=O)C[CH](O)CCCCCCCCCCC)O[CH](COC)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C95H182N2O25P2/c1-8-14-20-26-32-38-39-45-51-57-63-69-88(104)117-81(67-61-55-49-43-36-30-24-18-12-5)73-90(106)120-93-91(97-86(102)72-80(66-60-54-48-42-35-29-23-17-11-4)116-87(103)68-62-56-50-44-37-31-25-19-13-6)95(119-84(77-113-7)92(93)121-123(107,108)109)115-75-82(74-98)118-94(122-124(110,111)112)83(96-85(101)70-78(99)64-58-52-46-40-33-27-21-15-9-2)76-114-89(105)71-79(100)65-59-53-47-41-34-28-22-16-10-3/h78-84,91-95,98-100H,8-77H2,1-7H3,(H,96,101)(H,97,102)(H2,107,108,109)(H2,110,111,112)/t78-,79-,80-,81-,82+,83-,84-,91-,92-,93-,94-,95-/m1/s1 | Definition date: | 2019-07-11 | Last modified: | 2019-09-20 | Release date: | 2019-09-25 | Identifier: | [(2~{R},3~{R})-3-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(methoxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxy-3-oxidanyl-propan-2-yl]oxy-2-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-propyl] (3~{R})-3-oxidanyltetradecanoate |
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![G7Z G7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/G7Z.svg) | G7Z | Name: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide | Formula: | C8 H12 N2 O3 | SMILES: | CNC(=O)CCN1C(=O)CCC1=O | InChi: | InChI=1S/C8H12N2O3/c1-9-6(11)4-5-10-7(12)2-3-8(10)13/h2-5H2,1H3,(H,9,11) | Definition date: | 2018-09-05 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide |
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![MQ4 MQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/MQ4.svg) | MQ4 | Name: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid | Formula: | C9 H10 F3 N O3 | SMILES: | C(C(C=O)C=1CC(CC=1N)C(=O)O)(F)(F)F | InChi: | InChI=1S/C9H10F3NO3/c10-9(11,12)6(3-14)5-1-4(8(15)16)2-7(5)13/h3-4,6H,1-2,13H2,(H,15,16)/t4-,6+/m0/s1 | Definition date: | 2019-04-10 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid |
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![JEH JEH](https://data.pdbj.org/pdbjplus/data/cc/svg/JEH.svg) | JEH | Name: | 5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | Formula: | C27 H31 N7 | SMILES: | CC(C)N1CCN(CC1)Cc2ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2 | InChi: | InChI=1S/C27H31N7/c1-19(2)33-13-11-32(12-14-33)17-20-3-5-21(6-4-20)18-34-10-9-22-7-8-23(15-25(22)34)26-24(16-28)27(29)31-30-26/h3-10,15,19H,11-14,17-18H2,1-2H3,(H3,29,30,31) | Definition date: | 2019-02-19 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | 5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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![O4Y O4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/O4Y.svg) | O4Y | Name: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid | Formula: | C11 H10 N2 O3 | SMILES: | CC(C(O)=O)N2C=Nc1c(cccc1)C2=O | InChi: | InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m1/s1 | Definition date: | 2019-06-11 | Last modified: | 2019-09-13 | Release date: | 2019-09-18 | Identifier: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid |
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