![ESS ESS](https://data.pdbj.org/pdbjplus/data/cc/svg/ESS.svg) | ESS | Name: | (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C21 H36 N4 O10 S2 | SMILES: | O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19+/m0/s1 | Definition date: | 2021-12-10 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1R,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
|
![ET6 ET6](https://data.pdbj.org/pdbjplus/data/cc/svg/ET6.svg) | ET6 | Name: | (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C21 H36 N4 O10 S2 | SMILES: | O=S(C)(=O)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1 | InChi: | InChI=1S/C21H36N4O10S2/c1-12(2)6-15(24-20(29)35-14-8-21(9-14)10-25(11-21)36(3,30)31)18(27)23-16(19(28)37(32,33)34)7-13-4-5-22-17(13)26/h12-16,19,28H,4-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,29)(H,32,33,34)/t13-,15-,16-,19-/m0/s1 | Definition date: | 2021-12-10 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
|
![6IC 6IC](https://data.pdbj.org/pdbjplus/data/cc/svg/6IC.svg) | 6IC | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol | Formula: | C33 H31 F3 N6 O2 | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccc(F)c(C#C)c21 | InChi: | InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1 | Synonyms: | MRTX-1133 | Definition date: | 2021-08-05 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol |
|
![7IZ 7IZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7IZ.svg) | 7IZ | Name: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine | Formula: | C27 H28 Cl F N6 O | SMILES: | CN1CCCC1COc1nc2c(F)c(ncc2c(n1)N1CCNCC1)c1cccc2cccc(Cl)c21 | InChi: | InChI=1S/C27H28ClFN6O/c1-34-12-4-7-18(34)16-36-27-32-25-20(26(33-27)35-13-10-30-11-14-35)15-31-24(23(25)29)19-8-2-5-17-6-3-9-21(28)22(17)19/h2-3,5-6,8-9,15,18,30H,4,7,10-14,16H2,1H3/t18-/m0/s1 | Definition date: | 2021-08-13 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine |
|
![7L8 7L8](https://data.pdbj.org/pdbjplus/data/cc/svg/7L8.svg) | 7L8 | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol | Formula: | C29 H31 F N6 O2 | SMILES: | CN1CCCC1COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21 | InChi: | InChI=1S/C29H31FN6O2/c1-35-10-4-6-20(35)16-38-29-33-27-24(28(34-29)36-14-18-8-9-19(15-36)32-18)13-31-26(25(27)30)23-12-21(37)11-17-5-2-3-7-22(17)23/h2-3,5,7,11-13,18-20,32,37H,4,6,8-10,14-16H2,1H3/t18-,19+,20-/m0/s1 | Definition date: | 2021-08-13 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol |
|
![7NL 7NL](https://data.pdbj.org/pdbjplus/data/cc/svg/7NL.svg) | 7NL | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol | Formula: | C31 H32 F2 N6 O2 | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21 | InChi: | InChI=1S/C31H32F2N6O2/c32-19-12-31(8-3-9-39(31)14-19)17-41-30-36-28-25(29(37-30)38-15-20-6-7-21(16-38)35-20)13-34-27(26(28)33)24-11-22(40)10-18-4-1-2-5-23(18)24/h1-2,4-5,10-11,13,19-21,35,40H,3,6-9,12,14-17H2/t19-,20-,21+,31+/m1/s1 | Definition date: | 2021-08-13 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol |
|
![7NZ 7NZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7NZ.svg) | 7NZ | Name: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol | Formula: | C31 H32 F2 N6 O2 | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(ncc2c(n1)N1CC2CCC(N2)C1)c1cc(O)cc2ccccc21 | InChi: | InChI=1S/C31H32F2N6O2/c32-19-12-31(8-3-9-39(31)14-19)17-41-30-36-28-25(29(37-30)38-15-20-6-7-21(16-38)35-20)13-34-27(26(28)33)24-11-22(40)10-18-4-1-2-5-23(18)24/h1-2,4-5,10-11,13,19-21,35,40H,3,6-9,12,14-17H2/t19-,20-,21+,31+/m0/s1 | Definition date: | 2021-08-13 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol |
|
![7OE 7OE](https://data.pdbj.org/pdbjplus/data/cc/svg/7OE.svg) | 7OE | Name: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine | Formula: | C33 H32 F2 N6 O | SMILES: | C#Cc1c2c(ccc1F)cccc2c1ncc2c(nc(nc2N2CC3CCC(N3)C2)OCC23CCCN3CCC2)c1F | InChi: | InChI=1S/C33H32F2N6O/c1-2-23-26(34)11-8-20-6-3-7-24(27(20)23)29-28(35)30-25(16-36-29)31(40-17-21-9-10-22(18-40)37-21)39-32(38-30)42-19-33-12-4-14-41(33)15-5-13-33/h1,3,6-8,11,16,21-22,37H,4-5,9-10,12-15,17-19H2/t21-,22+ | Definition date: | 2021-08-13 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine |
|
![7RU 7RU](https://data.pdbj.org/pdbjplus/data/cc/svg/7RU.svg) | 7RU | Name: | 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea | Formula: | C21 H32 Cl2 N4 O | SMILES: | CN(C)C(=O)N[CH]1CC[CH](CC1)CCN2CCN(CC2)c3cccc(Cl)c3Cl | InChi: | InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | Synonyms: | Cariprazine | Definition date: | 2021-10-15 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea |
|
![4WI 4WI](https://data.pdbj.org/pdbjplus/data/cc/svg/4WI.svg) | 4WI | Name: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C23 H34 F3 N5 O4 | SMILES: | CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C23H34F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h9,11-16,27H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/b27-9+/t11-,12-,13-,14-,15-,16+/m0/s1 | Synonyms: | PF-07321332, bound form | Definition date: | 2021-07-15 | Last modified: | 2021-12-14 | Release date: | 2021-11-10 | Identifier: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
|
![ZNC ZNC](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNC.svg) | ZNC | Name: | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine | Formula: | C21 H23 N3 | SMILES: | C(CCN1CC=C(CC1)c1c[NH]c2ncccc21)c1ccccc1 | InChi: | InChI=1S/C21H23N3/c1-2-6-17(7-3-1)8-5-13-24-14-10-18(11-15-24)20-16-23-21-19(20)9-4-12-22-21/h1-4,6-7,9-10,12,16H,5,8,11,13-15H2,(H,22,23) | Definition date: | 2021-03-31 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine |
|
![H9O H9O](https://data.pdbj.org/pdbjplus/data/cc/svg/H9O.svg) | H9O | Name: | 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid | Formula: | C10 H9 B O4 | SMILES: | OB1O[CH](C(=C)C(O)=O)c2ccccc12 | InChi: | InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m0/s1 | Definition date: | 2020-12-08 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
|
![VBV VBV](https://data.pdbj.org/pdbjplus/data/cc/svg/VBV.svg) | VBV | Name: | [1,1'-biphenyl]-4,4'-disulfonic acid | Formula: | C12 H10 O6 S2 | SMILES: | O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O | InChi: | InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18) | Definition date: | 2020-07-24 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | [1,1'-biphenyl]-4,4'-disulfonic acid |
|
![HCU HCU](https://data.pdbj.org/pdbjplus/data/cc/svg/HCU.svg) | HCU | Name: | [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate | Formula: | C10 H16 N5 O6 P | SMILES: | NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)(O)=O)c2N1 | InChi: | InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1 | Synonyms: | Penciclovir phosphate | Definition date: | 2020-12-17 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | [(2~{R})-4-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate |
|
![XAY XAY](https://data.pdbj.org/pdbjplus/data/cc/svg/XAY.svg) | XAY | Name: | 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid | Formula: | C25 H21 N3 O4 | SMILES: | OC(=O)c1ccccc1NC(=O)C(C#N)Cc2cc(ccc2)NC(c3ccc(cc3)C)=O | InChi: | InChI=1S/C25H21N3O4/c1-16-9-11-18(12-10-16)23(29)27-20-6-4-5-17(14-20)13-19(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-12,14,19H,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t19-/m0/s1 | Definition date: | 2020-12-08 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid |
|
![YT1 YT1](https://data.pdbj.org/pdbjplus/data/cc/svg/YT1.svg) | YT1 | Name: | PB28 | Formula: | C24 H38 N2 O | SMILES: | COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1 | InChi: | InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3/t20-/m1/s1 | Synonyms: | 1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine | Definition date: | 2021-03-31 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 1-cyclohexyl-4-{3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl}piperazine |
|
![YT7 YT7](https://data.pdbj.org/pdbjplus/data/cc/svg/YT7.svg) | YT7 | Name: | Roluperidone | Formula: | C22 H23 F N2 O2 | SMILES: | O=C(CN1CCC(CC1)CN1Cc2ccccc2C1=O)c1ccc(F)cc1 | InChi: | InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2 | Synonyms: | 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one | Definition date: | 2021-03-31 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one |
|
![YTC YTC](https://data.pdbj.org/pdbjplus/data/cc/svg/YTC.svg) | YTC | Name: | (3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one | Formula: | C22 H24 O7 | SMILES: | COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC | InChi: | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m1/s1 | Definition date: | 2021-03-18 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | (3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
|
![YTD YTD](https://data.pdbj.org/pdbjplus/data/cc/svg/YTD.svg) | YTD | Name: | 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one | Formula: | C21 H26 N2 O2 | SMILES: | CC(C)(NCc1ccc2c(CCC(=O)N2C)c1)C(O)c1ccccc1 | InChi: | InChI=1S/C21H26N2O2/c1-21(2,20(25)16-7-5-4-6-8-16)22-14-15-9-11-18-17(13-15)10-12-19(24)23(18)3/h4-9,11,13,20,22,25H,10,12,14H2,1-3H3/t20-/m0/s1 | Definition date: | 2021-03-31 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one |
|
![YTN YTN](https://data.pdbj.org/pdbjplus/data/cc/svg/YTN.svg) | YTN | Name: | (3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one | Formula: | C22 H24 O7 | SMILES: | COc1cc(C[CH]2[CH](COC2=O)Cc3ccc4OCOc4c3)cc(OC)c1OC | InChi: | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1 | Definition date: | 2021-02-17 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | (3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one |
|
![J03 J03](https://data.pdbj.org/pdbjplus/data/cc/svg/J03.svg) | J03 | Name: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | Formula: | C11 H15 N5 O4 | SMILES: | COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3 | InChi: | InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1 | Definition date: | 2021-03-08 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
|
![1IC 1IC](https://data.pdbj.org/pdbjplus/data/cc/svg/1IC.svg) | 1IC | Name: | O-octanoyl-D-serine | Formula: | C11 H21 N O4 | SMILES: | OC(=O)C(N)COC(=O)CCCCCCC | InChi: | InChI=1S/C11H21NO4/c1-2-3-4-5-6-7-10(13)16-8-9(12)11(14)15/h9H,2-8,12H2,1H3,(H,14,15)/t9-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | O-octanoyl-D-serine |
|
![1KD 1KD](https://data.pdbj.org/pdbjplus/data/cc/svg/1KD.svg) | 1KD | Name: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] | Formula: | C27 H36 N4 O5 S | SMILES: | CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2(CC1)CN(c1ccccc12)S(C)(=O)=O | InChi: | InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine] |
|
![B1I B1I](https://data.pdbj.org/pdbjplus/data/cc/svg/B1I.svg) | B1I | Name: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | Formula: | C19 H24 F N5 O | SMILES: | Fc1cccc(c1)N1CCCC(C1)Nc1cc(ncn1)N1CCOCC1 | InChi: | InChI=1S/C19H24FN5O/c20-15-3-1-5-17(11-15)25-6-2-4-16(13-25)23-18-12-19(22-14-21-18)24-7-9-26-10-8-24/h1,3,5,11-12,14,16H,2,4,6-10,13H2,(H,21,22,23)/t16-/m1/s1 | Definition date: | 2021-11-11 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine |
|
![4IU 4IU](https://data.pdbj.org/pdbjplus/data/cc/svg/4IU.svg) | 4IU | Name: | 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid | Formula: | C16 H18 N2 O6 | SMILES: | Cn1c(CO[CH]2C=CO[CH](CO)[CH]2O)nc3ccc(cc13)C(O)=O | InChi: | InChI=1S/C16H18N2O6/c1-18-11-6-9(16(21)22)2-3-10(11)17-14(18)8-24-12-4-5-23-13(7-19)15(12)20/h2-6,12-13,15,19-20H,7-8H2,1H3,(H,21,22)/t12-,13-,15-/m1/s1 | Definition date: | 2021-07-02 | Last modified: | 2021-12-10 | Release date: | 2021-12-15 | Identifier: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid |
|