![BSX BSX](https://data.pdbj.org/pdbjplus/data/cc/svg/BSX.svg) | BSX | Name: | 2-(2-fluorophenyl)ethanamine | Formula: | C8 H10 F N | SMILES: | NCCc1ccccc1F | InChi: | InChI=1S/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2 | Definition date: | 2015-12-21 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | 2-(2-fluorophenyl)ethanamine |
|
![5VD 5VD](https://data.pdbj.org/pdbjplus/data/cc/svg/5VD.svg) | 5VD | Name: | methyl (1~{R},2~{R},4~{S})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate | Formula: | C21 H18 O9 | SMILES: | COC(=O)[CH]1c2cc3C(=O)c4c(O)ccc(O)c4C(=O)c3c(O)c2[CH](O)C[C]1(C)O | InChi: | InChI=1S/C21H18O9/c1-21(29)6-11(24)12-7(16(21)20(28)30-2)5-8-13(18(12)26)19(27)15-10(23)4-3-9(22)14(15)17(8)25/h3-5,11,16,22-24,26,29H,6H2,1-2H3/t11-,16-,21+/m0/s1 | Definition date: | 2015-12-09 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | methyl (1~{R},2~{R},4~{S})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate |
|
![GBT GBT](https://data.pdbj.org/pdbjplus/data/cc/svg/GBT.svg) | GBT | Name: | (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one | Formula: | C29 H33 N7 O3 | SMILES: | Cc4nc(N)cc5OCCC=CCCCOc1c(ccc(c1)Cn2cccn2)Cn3ncc(c3)C(NCc45)=O | InChi: | InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+ | Definition date: | 2016-10-12 | Last modified: | 2016-12-16 | Release date: | 2016-12-21 | Identifier: | (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one |
|
![VT5 VT5](https://data.pdbj.org/pdbjplus/data/cc/svg/VT5.svg) | VT5 | Name: | (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one | Formula: | C18 H19 Cl F N O3 | SMILES: | CC(=O)C1=C(O)C(=O)N([CH]1C2CCCCC2)c3ccc(Cl)cc3F | InChi: | InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1 | Definition date: | 2016-08-19 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one |
|
![Q6Y Q6Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6Y.svg) | Q6Y | Name: | ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide | Formula: | C26 H33 N7 O2 | SMILES: | C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3c(C)c(NC(=O)c4cnc(C)nc4)cn5ccnc35 | InChi: | InChI=1S/C26H33N7O2/c1-17-14-31(10-11-33(17)26(35)20-6-4-5-7-20)15-22-18(2)23(16-32-9-8-27-24(22)32)30-25(34)21-12-28-19(3)29-13-21/h8-9,12-13,16-17,20H,4-7,10-11,14-15H2,1-3H3,(H,30,34)/t17-/m0/s1 | Definition date: | 2016-10-31 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide |
|
![7HQ 7HQ](https://data.pdbj.org/pdbjplus/data/cc/svg/7HQ.svg) | 7HQ | Name: | benzimidazol-1-ylmethanol | Formula: | C8 H8 N2 O | SMILES: | OCn1cnc2ccccc12 | InChi: | InChI=1S/C8H8N2O/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-5,11H,6H2 | Definition date: | 2016-11-01 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | benzimidazol-1-ylmethanol |
|
![63U 63U](https://data.pdbj.org/pdbjplus/data/cc/svg/63U.svg) | 63U | Name: | (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C16 H19 N3 O4 S | SMILES: | O=C(C1=C(C)CSC(N1)C(C=O)NC(C(c2ccccc2)N)=O)O | InChi: | InChI=1S/C16H19N3O4S/c1-9-8-24-15(19-13(9)16(22)23)11(7-20)18-14(21)12(17)10-5-3-2-4-6-10/h2-7,11-12,15,19H,8,17H2,1H3,(H,18,21)(H,22,23)/t11-,12-,15+/m1/s1 | Definition date: | 2016-01-21 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
![63V 63V](https://data.pdbj.org/pdbjplus/data/cc/svg/63V.svg) | 63V | Name: | (2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C14 H14 N2 O4 S2 | SMILES: | O=C(C1=NC(SCC/1=C)C(C=O)NC(=O)Cc2sccc2)O | InChi: | InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13+/m1/s1 | Definition date: | 2016-01-21 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | (2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
![65P 65P](https://data.pdbj.org/pdbjplus/data/cc/svg/65P.svg) | 65P | Name: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid | Formula: | C31 H32 F2 N2 O4 | SMILES: | c1cc(F)c(cc1Cn3c2nc(C)c(c(c2cc3)c5ccc4OCCCc4c5C)C(OC(C)(C)C)C(=O)O)F | InChi: | InChI=1S/C31H32F2N2O4/c1-17-20-7-6-14-38-25(20)11-9-21(17)27-22-12-13-35(16-19-8-10-23(32)24(33)15-19)29(22)34-18(2)26(27)28(30(36)37)39-31(3,4)5/h8-13,15,28H,6-7,14,16H2,1-5H3,(H,36,37)/t28-/m0/s1 | Definition date: | 2016-01-28 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid |
|
![65Y 65Y](https://data.pdbj.org/pdbjplus/data/cc/svg/65Y.svg) | 65Y | Name: | 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid | Formula: | C22 H22 Cl N O2 | SMILES: | c2c3c(c1cccc(C(C)C)c1)c(c(C(C)C)nc3ccc2Cl)C(=O)O | InChi: | InChI=1S/C22H22ClNO2/c1-12(2)14-6-5-7-15(10-14)19-17-11-16(23)8-9-18(17)24-21(13(3)4)20(19)22(25)26/h5-13H,1-4H3,(H,25,26) | Definition date: | 2016-02-02 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 6-chloro-2-(propan-2-yl)-4-[3-(propan-2-yl)phenyl]quinoline-3-carboxylic acid |
|
![65Z 65Z](https://data.pdbj.org/pdbjplus/data/cc/svg/65Z.svg) | 65Z | Name: | 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid | Formula: | C21 H18 Cl2 N2 O2 | SMILES: | N1(CCCCC1)c2nc4c(cc(cc4c(c2C(=O)O)c3ccccc3)Cl)Cl | InChi: | InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27) | Definition date: | 2016-02-02 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid |
|
![67U 67U](https://data.pdbj.org/pdbjplus/data/cc/svg/67U.svg) | 67U | Name: | 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine | Formula: | C13 H14 Br N5 | SMILES: | CC(C)c1c(cn(n1)C)c3nc2c(ncc(c2)Br)n3 | InChi: | InChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17) | Definition date: | 2016-02-16 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine |
|
![6A8 6A8](https://data.pdbj.org/pdbjplus/data/cc/svg/6A8.svg) | 6A8 | Name: | ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol | Formula: | C25 H35 B N6 O5 | SMILES: | O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3 | InChi: | InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1 | Definition date: | 2016-02-25 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide |
|
![6X2 6X2](https://data.pdbj.org/pdbjplus/data/cc/svg/6X2.svg) | 6X2 | Name: | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione | Formula: | C24 H27 F N4 O3 | SMILES: | CCCN1CCN(C[CH]1C)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F | InChi: | InChI=1S/C24H27FN4O3/c1-3-10-27-11-12-28(14-16(27)2)23(31)19-13-17(8-9-20(19)25)15-29-21-7-5-4-6-18(21)22(30)26-24(29)32/h4-9,13,16H,3,10-12,14-15H2,1-2H3,(H,26,30,32)/t16-/m1/s1 | Definition date: | 2016-07-12 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 1-[[4-fluoranyl-3-[(3~{R})-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione |
|
![6YC 6YC](https://data.pdbj.org/pdbjplus/data/cc/svg/6YC.svg) | 6YC | Name: | ~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide | Formula: | C23 H28 N2 O2 | SMILES: | COCCN(C[CH]1CCCN(CC#C)C1)C(=O)c2ccc3ccccc3c2 | InChi: | InChI=1S/C23H28N2O2/c1-3-12-24-13-6-7-19(17-24)18-25(14-15-27-2)23(26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3/t19-/m0/s1 | Definition date: | 2016-07-24 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | ~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide |
|
![72J 72J](https://data.pdbj.org/pdbjplus/data/cc/svg/72J.svg) | 72J | Name: | 7-(N-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-dATP | Formula: | C26 H44 N5 O14 P3 | SMILES: | Nc1ncnc2n(cc(C=CCCCNC(=O)CCCCCCCCCO)c12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3 | InChi: | InChI=1S/C26H44N5O14P3/c27-25-24-19(11-7-6-9-13-28-22(34)12-8-4-2-1-3-5-10-14-32)16-31(26(24)30-18-29-25)23-15-20(33)21(43-23)17-42-47(38,39)45-48(40,41)44-46(35,36)37/h7,11,16,18,20-21,23,32-33H,1-6,8-10,12-15,17H2,(H,28,34)(H,38,39)(H,40,41)(H2,27,29,30)(H2,35,36,37)/b11-7+/t20-,21+,23+/m0/s1 | Definition date: | 2016-08-16 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | [[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[(~{E})-5-(10-oxidanyldecanoylamino)pent-1-enyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
|
![73R 73R](https://data.pdbj.org/pdbjplus/data/cc/svg/73R.svg) | 73R | Name: | (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one | Formula: | C26 H36 F3 N5 O | SMILES: | c43c(c(NC1C(=O)N(CC1)C2CCC(CC2CCC)N(C(C)C)C)ncn3)cc(cc4)C(F)(F)F | InChi: | InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1 | Definition date: | 2016-08-19 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one |
|
![6F7 6F7](https://data.pdbj.org/pdbjplus/data/cc/svg/6F7.svg) | 6F7 | Name: | 3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) | Formula: | C10 H15 N2 O8 P | SMILES: | N2(C1C(CC(O1)COP(O)(O)=O)O)C(=O)NC(C(=C2)C)=O | InChi: | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-8(5)14)9-7(13)2-6(20-9)4-19-21(16,17)18/h3,6-7,9,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 | Definition date: | 2016-03-29 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) |
|
![6MX 6MX](https://data.pdbj.org/pdbjplus/data/cc/svg/6MX.svg) | 6MX | Name: | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid | Formula: | C28 H39 N3 O4 S | SMILES: | OC(=O)C[CH]1CCN(C1)c2ccc(C(=O)N[CH]3[CH]4CC5C[CH]3CC(O)(C5)C4)c(SC6CCCCC6)n2 | InChi: | InChI=1S/C28H39N3O4S/c32-24(33)12-17-8-9-31(16-17)23-7-6-22(27(29-23)36-21-4-2-1-3-5-21)26(34)30-25-19-10-18-11-20(25)15-28(35,13-18)14-19/h6-7,17-21,25,35H,1-5,8-16H2,(H,30,34)(H,32,33)/t17-,18-,19-,20+,25-,28-/m1/s1 | Definition date: | 2016-05-30 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid |
|
![6N3 6N3](https://data.pdbj.org/pdbjplus/data/cc/svg/6N3.svg) | 6N3 | Name: | (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid | Formula: | C27 H37 N3 O5 | SMILES: | CC(C)CCOc1nc(ccc1C(=O)N[CH]2[CH]3CC4C[CH]2CC(O)(C4)C3)N5C[CH]6[CH](C5)[CH]6C(O)=O | InChi: | InChI=1S/C27H37N3O5/c1-14(2)5-6-35-25-18(3-4-21(28-25)30-12-19-20(13-30)22(19)26(32)33)24(31)29-23-16-7-15-8-17(23)11-27(34,9-15)10-16/h3-4,14-17,19-20,22-23,34H,5-13H2,1-2H3,(H,29,31)(H,32,33)/t15-,16-,17+,19-,20+,22+,23-,27- | Definition date: | 2016-05-30 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid |
|
![FIJ FIJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FIJ.svg) | FIJ | Name: | 4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol | Formula: | C18 H18 Cl2 O4 | SMILES: | CC1(C)C[C](C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O | InChi: | InChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3/t18-/m0/s1 | Definition date: | 2015-12-14 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol |
|
![5U9 5U9](https://data.pdbj.org/pdbjplus/data/cc/svg/5U9.svg) | 5U9 | Name: | ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide | Formula: | C9 H12 N3 O2 S | SMILES: | CC(=O)c1csc(NC(=O)C2C[NH2+]C2)n1 | InChi: | InChI=1S/C9H11N3O2S/c1-5(13)7-4-15-9(11-7)12-8(14)6-2-10-3-6/h4,6,10H,2-3H2,1H3,(H,11,12,14)/p+1 | Definition date: | 2015-12-02 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide |
|
![5UE 5UE](https://data.pdbj.org/pdbjplus/data/cc/svg/5UE.svg) | 5UE | Name: | [(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium | Formula: | C8 H12 N3 O2 S | SMILES: | C[CH]([NH3+])C(=O)Nc1scc(n1)C(C)=O | InChi: | InChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/p+1/t4-/m1/s1 | Definition date: | 2015-12-02 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | [(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium |
|
![5ZI 5ZI](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZI.svg) | 5ZI | Name: | 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-N-(quinolin-8-yl)benzamide | Formula: | C27 H21 N5 O3 | SMILES: | O=C(CCC1=Nc2ccccc2C(=O)N1)Nc3ccc(cc3)C(=O)Nc4cccc5cccnc45 | InChi: | InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35) | Definition date: | 2015-12-01 | Last modified: | 2016-12-09 | Release date: | 2016-12-14 | Identifier: | 4-[3-(4-oxidanylidene-3H-quinazolin-2-yl)propanoylamino]-N-quinolin-8-yl-benzamide |
|
![PZG PZG](https://data.pdbj.org/pdbjplus/data/cc/svg/PZG.svg) | PZG | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | Formula: | C14 H18 N7 O7 P | SMILES: | Cc1n[nH]cc1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N | InChi: | InChI=1S/C14H18N7O7P/c1-5-7(2-17-20-5)29(25,26)27-3-6-9(22)10(23)13(28-6)21-4-16-8-11(21)18-14(15)19-12(8)24/h2,4,6,9-10,13,22-23H,3H2,1H3,(H,17,20)(H,25,26)(H3,15,18,19,24)/t6-,9-,10-,13-/m1/s1 | Definition date: | 2016-01-05 | Last modified: | 2016-12-02 | Release date: | 2016-12-07 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid |
|