![X5H X5H](https://data.pdbj.org/pdbjplus/data/cc/svg/X5H.svg) | X5H | Name: | (~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid | Formula: | C8 H13 N O4 | SMILES: | OC(=O)CCC=CCNCC(O)=O | InChi: | InChI=1S/C8H13NO4/c10-7(11)4-2-1-3-5-9-6-8(12)13/h1,3,9H,2,4-6H2,(H,10,11)(H,12,13)/b3-1+ | Definition date: | 2023-05-31 | Last modified: | 2023-11-03 | Release date: | 2023-06-07 | Identifier: | (~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid |
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![ZPO ZPO](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPO.svg) | ZPO | Name: | pyrazolidine-1-carboxylic acid | Formula: | C4 H8 N2 O2 | SMILES: | N1CCCN1C(O)=O | InChi: | InChI=1S/C4H8N2O2/c7-4(8)6-3-1-2-5-6/h5H,1-3H2,(H,7,8) | Definition date: | 2018-08-22 | Last modified: | 2023-11-03 | Release date: | 2019-07-03 | Identifier: | pyrazolidine-1-carboxylic acid |
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![X5P X5P](https://data.pdbj.org/pdbjplus/data/cc/svg/X5P.svg) | X5P | Name: | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid | Formula: | C7 H11 N O5 | SMILES: | C[CH](NC(=O)CCC(O)=O)C(O)=O | InChi: | InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2023-11-03 | Release date: | 2023-06-14 | Identifier: | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
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![WPA WPA](https://data.pdbj.org/pdbjplus/data/cc/svg/WPA.svg) | WPA | Name: | (betaR)-beta-methoxy-L-phenylalanine | Formula: | C10 H13 N O3 | SMILES: | O=C(O)C(N)C(OC)c1ccccc1 | InChi: | InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1 | Definition date: | 2013-06-18 | Last modified: | 2023-11-03 | Release date: | 2013-09-18 | Identifier: | (betaR)-beta-methoxy-L-phenylalanine |
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![Y2Y Y2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2Y.svg) | Y2Y | Name: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid | Formula: | C7 H13 N O5 | SMILES: | NC(CC(O)=O)C(CCC(=O)O)O | InChi: | InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 | Definition date: | 2020-06-02 | Last modified: | 2023-11-03 | Release date: | 2021-06-02 | Identifier: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid |
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![VQK VQK](https://data.pdbj.org/pdbjplus/data/cc/svg/VQK.svg) | VQK | Name: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide | Formula: | C24 H18 Cl2 N2 O3 | SMILES: | Clc1cc(OCCc2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2)cc1 | InChi: | InChI=1S/C24H18Cl2N2O3/c1-2-24(29)28-20-5-3-4-16(11-20)8-9-30-23-14-18(25)6-7-22(23)31-21-12-17(15-27)10-19(26)13-21/h2-7,10-14H,1,8-9H2,(H,28,29) | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide |
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![X60 X60](https://data.pdbj.org/pdbjplus/data/cc/svg/X60.svg) | X60 | Name: | 2-ethyl-L-norvaline | Formula: | C7 H15 N O2 | SMILES: | CCCC(N)(CC)C(=O)O | InChi: | InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1 | Definition date: | 2023-06-02 | Last modified: | 2023-11-03 | Release date: | 2023-08-16 | Identifier: | 2-ethyl-L-norvaline |
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![S0X S0X](https://data.pdbj.org/pdbjplus/data/cc/svg/S0X.svg) | S0X | Name: | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide | Formula: | C27 H27 Cl N4 O2 | SMILES: | Clc1ccc2CN(CC3(CCN(C3=O)c3cncc4ccccc43)c2c1)CC(=O)NCC1CC1 | InChi: | InChI=1S/C27H27ClN4O2/c28-21-8-7-20-15-31(16-25(33)30-12-18-5-6-18)17-27(23(20)11-21)9-10-32(26(27)34)24-14-29-13-19-3-1-2-4-22(19)24/h1-4,7-8,11,13-14,18H,5-6,9-10,12,15-17H2,(H,30,33)/t27-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide |
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![VQT VQT](https://data.pdbj.org/pdbjplus/data/cc/svg/VQT.svg) | VQT | Name: | (4M)-4-(6-chloro-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}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine | Formula: | C29 H29 Cl F3 N7 O S | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(c3ccc(F)c4sc(N)nc34)c(Cl)cc2c(n1)N1CC2CCC(N2)C1 | InChi: | InChI=1S/C29H29ClF3N7OS/c30-19-8-18-23(22(33)21(19)17-4-5-20(32)25-24(17)36-27(34)42-25)37-28(38-26(18)39-11-15-2-3-16(12-39)35-15)41-13-29-6-1-7-40(29)10-14(31)9-29/h4-5,8,14-16,35H,1-3,6-7,9-13H2,(H2,34,36)/t14-,15-,16+,29+/m1/s1 | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4M)-4-(6-chloro-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}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine |
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![X6E X6E](https://data.pdbj.org/pdbjplus/data/cc/svg/X6E.svg) | X6E | Name: | 2-ethyl-D-norvaline | Formula: | C7 H15 N O2 | SMILES: | CCCC(N)(CC)C(=O)O | InChi: | InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1 | Definition date: | 2023-06-02 | Last modified: | 2023-11-03 | Release date: | 2023-08-16 | Identifier: | 2-ethyl-D-norvaline |
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![VR0 VR0](https://data.pdbj.org/pdbjplus/data/cc/svg/VR0.svg) | VR0 | Name: | N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine | Formula: | C8 H17 N5 O3 | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NC(=O)NC | InChi: | InChI=1S/C8H17N5O3/c1-11-8(16)13-7(10)12-4-2-3-5(9)6(14)15/h5H,2-4,9H2,1H3,(H,14,15)(H4,10,11,12,13,16)/t5-/m0/s1 | Definition date: | 2010-11-01 | Last modified: | 2023-11-03 | Identifier: | N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine |
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![VR5 VR5](https://data.pdbj.org/pdbjplus/data/cc/svg/VR5.svg) | VR5 | Name: | (4P)-2-amino-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}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile | Formula: | C32 H29 F6 N7 O S | SMILES: | FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(N2)C1 | InChi: | InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16-,17+,31+/m1/s1 | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4P)-2-amino-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}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile |
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![VR9 VR9](https://data.pdbj.org/pdbjplus/data/cc/svg/VR9.svg) | VR9 | Name: | N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide | Formula: | C21 H20 Cl N3 O3 | SMILES: | CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(cc12)C#N | InChi: | InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)9-10-27-20-12-16(22)6-7-19(20)28-18-5-4-8-25-14-15(13-23)11-17(18)25/h4-8,11-12,14H,3,9-10H2,1-2H3 | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide |
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![VRF VRF](https://data.pdbj.org/pdbjplus/data/cc/svg/VRF.svg) | VRF | Name: | N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide | Formula: | C23 H20 N2 O3 | SMILES: | C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21 | InChi: | InChI=1S/C23H20N2O3/c1-3-23(26)25(2)13-14-27-21-8-4-5-9-22(21)28-20-10-6-7-18-15-17(16-24)11-12-19(18)20/h3-12,15H,1,13-14H2,2H3 | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide |
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![S1L S1L](https://data.pdbj.org/pdbjplus/data/cc/svg/S1L.svg) | S1L | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C31 H30 Cl N5 O3 | SMILES: | Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc(ccc1)N1CCOCC1 | InChi: | InChI=1S/C31H30ClN5O3/c32-23-9-8-22-18-36(20-30(38)34-24-5-3-6-25(15-24)37-10-12-40-13-11-37)19-28(27(22)14-23)31(39)35-29-17-33-16-21-4-1-2-7-26(21)29/h1-9,14-17,28H,10-13,18-20H2,(H,34,38)(H,35,39)/t28-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![HCI HCI](https://data.pdbj.org/pdbjplus/data/cc/svg/HCI.svg) | HCI | Name: | HYDROCINNAMIC ACID | Formula: | C9 H10 O2 | SMILES: | O=C(O)CCc1ccccc1 | InChi: | InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | Synonyms: | 3PP | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-phenylpropanoic acid |
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![HCL HCL](https://data.pdbj.org/pdbjplus/data/cc/svg/HCL.svg) | HCL | Name: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid | Formula: | C8 H8 Cl N O4 | SMILES: | N[CH](C(O)=O)c1cc(O)cc(O)c1Cl | InChi: | InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1 | Definition date: | 2012-03-05 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid |
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![Z7Z Z7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Z7Z.svg) | Z7Z | Name: | biphenyl-4-carboxylic acid | Formula: | C13 H10 O2 | SMILES: | O=C(O)c2ccc(c1ccccc1)cc2 | InChi: | InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15) | Definition date: | 2012-12-17 | Last modified: | 2023-11-03 | Release date: | 2021-09-01 | Identifier: | biphenyl-4-carboxylic acid |
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![S1U S1U](https://data.pdbj.org/pdbjplus/data/cc/svg/S1U.svg) | S1U | Name: | (4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C33 H35 Cl N6 O2 | SMILES: | CCN1CCN(CC1)c1ccc(NC(=O)CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccccc32)cc1 | InChi: | InChI=1S/C33H35ClN6O2/c1-2-38-13-15-40(16-14-38)27-11-9-26(10-12-27)36-32(41)22-39-20-24-7-8-25(34)17-29(24)30(21-39)33(42)37-31-19-35-18-23-5-3-4-6-28(23)31/h3-12,17-19,30H,2,13-16,20-22H2,1H3,(H,36,41)(H,37,42)/t30-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![VRQ VRQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VRQ.svg) | VRQ | Name: | N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide | Formula: | C23 H19 Cl N2 O3 | SMILES: | Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cccc3cc(C#N)ccc23)cc1 | InChi: | InChI=1S/C23H19ClN2O3/c1-3-23(27)26(2)11-12-28-22-14-18(24)8-10-21(22)29-20-6-4-5-17-13-16(15-25)7-9-19(17)20/h3-10,13-14H,1,11-12H2,2H3 | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide |
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![UIA UIA](https://data.pdbj.org/pdbjplus/data/cc/svg/UIA.svg) | UIA | Name: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid | Formula: | C4 H10 N2 O2 | SMILES: | C[CH](CN)NC(O)=O | InChi: | InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1 | Definition date: | 2019-10-12 | Last modified: | 2023-11-03 | Release date: | 2021-02-17 | Identifier: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid |
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![HD0 HD0](https://data.pdbj.org/pdbjplus/data/cc/svg/HD0.svg) | HD0 | Name: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid | Formula: | C10 H12 N4 O4 | SMILES: | O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2 | InChi: | InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1 | Definition date: | 2010-11-01 | Last modified: | 2023-11-03 | Release date: | 2022-06-29 | Identifier: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid |
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![UIL UIL](https://data.pdbj.org/pdbjplus/data/cc/svg/UIL.svg) | UIL | Name: | [(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid | Formula: | C7 H16 N2 O2 | SMILES: | CC(C)C[CH](CN)NC(O)=O | InChi: | InChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m1/s1 | Definition date: | 2019-10-14 | Last modified: | 2023-11-03 | Release date: | 2021-02-17 | Identifier: | [(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid |
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![YNM YNM](https://data.pdbj.org/pdbjplus/data/cc/svg/YNM.svg) | YNM | Name: | N-METHYL-L-TYROSINE | Formula: | C10 H13 N O3 | SMILES: | O=C(O)C(NC)Cc1ccc(O)cc1 | InChi: | InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1 | Definition date: | 2009-09-03 | Last modified: | 2023-11-03 | Identifier: | N-methyl-L-tyrosine |
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![Y57 Y57](https://data.pdbj.org/pdbjplus/data/cc/svg/Y57.svg) | Y57 | Name: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine | Formula: | C17 H28 N2 O2 | SMILES: | C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1 | InChi: | InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | Definition date: | 2021-02-04 | Last modified: | 2023-11-03 | Release date: | 2021-12-15 | Identifier: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine |
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