Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
A1BSY
A1BSY
表記:(3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide
組成式:C15 H18 N4 O3
SMILES:O=C(Nc1cc(C#N)ccc1OC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C15H18N4O3/c1-22-13-5-4-10(8-16)7-12(13)18-15(21)19-6-2-3-11(9-19)14(17)20/h4-5,7,11H,2-3,6,9H2,1H3,(H2,17,20)(H,18,21)/t11-/m0/s1
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide
A1BSZ
A1BSZ
表記:(3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
組成式:C14 H18 Br N3 O3
SMILES:O=C(Cc1cc(Br)cnc1OC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C14H18BrN3O3/c1-21-14-10(5-11(15)7-17-14)6-12(19)18-4-2-3-9(8-18)13(16)20/h5,7,9H,2-4,6,8H2,1H3,(H2,16,20)/t9-/m0/s1
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
A1BTB
A1BTB
表記:(3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide
組成式:C21 H30 N4 O3
SMILES:O=C(N(CC(=O)N1CCCCC1)c1cc(C)ccc1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C21H30N4O3/c1-16-7-5-9-18(13-16)25(15-19(26)23-10-3-2-4-11-23)21(28)24-12-6-8-17(14-24)20(22)27/h5,7,9,13,17H,2-4,6,8,10-12,14-15H2,1H3,(H2,22,27)/t17-/m0/s1
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide
A1BTC
A1BTC
表記:(2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide
組成式:C14 H19 N3 O3
SMILES:O=C(Cc1ccccc1OC)N1CC(NCC1)C(N)=O
InChi:InChI=1S/C14H19N3O3/c1-20-12-5-3-2-4-10(12)8-13(18)17-7-6-16-11(9-17)14(15)19/h2-5,11,16H,6-9H2,1H3,(H2,15,19)/t11-/m0/s1
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide
A1BTF
A1BTF
表記:4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide
組成式:C16 H16 N2 O2
SMILES:O=C(Nc1ccccc1C)c1ccc(C)c(c1)C(N)=O
InChi:InChI=1S/C16H16N2O2/c1-10-7-8-12(9-13(10)15(17)19)16(20)18-14-6-4-3-5-11(14)2/h3-9H,1-2H3,(H2,17,19)(H,18,20)
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide
A1BTI
A1BTI
表記:(3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide
組成式:C16 H22 N2 O3
SMILES:O=C(Cc1ccccc1OC)N1CCCCC(C1)C(N)=O
InChi:InChI=1S/C16H22N2O3/c1-21-14-8-3-2-6-12(14)10-15(19)18-9-5-4-7-13(11-18)16(17)20/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H2,17,20)/t13-/m0/s1
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide
A1BTJ
A1BTJ
表記:1-methyl-N-[2-(1-methyl-1H-imidazol-4-yl)ethyl]-1H-indazole-3-carboxamide
組成式:C15 H17 N5 O
SMILES:Cn1cc(nc1)CCNC(=O)c1nn(C)c2ccccc21
InChi:InChI=1S/C15H17N5O/c1-19-9-11(17-10-19)7-8-16-15(21)14-12-5-3-4-6-13(12)20(2)18-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:1-methyl-N-[2-(1-methyl-1H-imidazol-4-yl)ethyl]-1H-indazole-3-carboxamide
A1BTK
A1BTK
表記:(3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one
組成式:C16 H18 N6 O
SMILES:Cc1ccc2n(C)ncc2c1Nc1ccn(n1)C1CCNC1=O
InChi:InChI=1S/C16H18N6O/c1-10-3-4-12-11(9-18-21(12)2)15(10)19-14-6-8-22(20-14)13-5-7-17-16(13)23/h3-4,6,8-9,13H,5,7H2,1-2H3,(H,17,23)(H,19,20)
定義日:2025-01-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one
A1D6D
A1D6D
表記:4-(2-chloranyl-6-fluoranyl-quinazolin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
組成式:C17 H12 Cl F N4 O2
SMILES:COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccc(F)cc34
InChi:InChI=1S/C17H12ClFN4O2/c1-25-10-3-5-14-13(7-10)20-15(24)8-23(14)16-11-6-9(19)2-4-12(11)21-17(18)22-16/h2-7H,8H2,1H3,(H,20,24)
定義日:2024-02-28
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:4-(2-chloranyl-6-fluoranyl-quinazolin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
A1D6E
A1D6E
表記:6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-methyl-quinazolin-2-amine
組成式:C19 H19 F N4 O
SMILES:CNc1nc2ccc(F)cc2c(n1)N3CCCc4cc(OC)ccc34
InChi:InChI=1S/C19H19FN4O/c1-21-19-22-16-7-5-13(20)11-15(16)18(23-19)24-9-3-4-12-10-14(25-2)6-8-17(12)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,23)
定義日:2024-02-28
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:6-fluoranyl-4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-methyl-quinazolin-2-amine
A1D7B
A1D7B
表記:~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate
組成式:C14 H26 Cl N O2 S
SMILES:CCCC[CH](Cl)CCCCC(=O)SCCNC(C)=O
InChi:InChI=1S/C14H26ClNO2S/c1-3-4-7-13(15)8-5-6-9-14(18)19-11-10-16-12(2)17/h13H,3-11H2,1-2H3,(H,16,17)/t13-/m0/s1
定義日:2024-03-29
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate
A1D7F
A1D7F
表記:5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol
組成式:C15 H23 Cl O2
SMILES:C[CH](Cl)CCCC[CH](C)Cc1cc(O)cc(O)c1
InChi:InChI=1S/C15H23ClO2/c1-11(5-3-4-6-12(2)16)7-13-8-14(17)10-15(18)9-13/h8-12,17-18H,3-7H2,1-2H3/t11-,12+/m0/s1
定義日:2024-04-02
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:5-[(2~{S},7~{R})-7-chloranyl-2-methyl-octyl]benzene-1,3-diol
A1EAP
A1EAP
表記:3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile
組成式:C17 H12 Br N3 O2
SMILES:CCc1nc2ccccn2c1C(=O)c3cc(Br)c(O)c(c3)C#N
InChi:InChI=1S/C17H12BrN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3
別名:Lingdolinurad
定義日:2024-08-15
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:3-bromanyl-5-(2-ethylimidazo[1,2-a]pyridin-3-yl)carbonyl-2-oxidanyl-benzenecarbonitrile
A1IHO
A1IHO
表記:1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
組成式:C21 H21 F5 N4 O2
SMILES:Fc1ccc(cc1F)N2C(=O)CCCC23CCN(CC3)c4cc(OCC(F)(F)F)ncn4
InChi:InChI=1S/C21H21F5N4O2/c22-15-4-3-14(10-16(15)23)30-19(31)2-1-5-20(30)6-8-29(9-7-20)17-11-18(28-13-27-17)32-12-21(24,25)26/h3-4,10-11,13H,1-2,5-9,12H2
定義日:2024-07-09
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
A1IHS
A1IHS
表記:1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
組成式:C24 H26 N4 O
SMILES:O=C1CCCC2(CCN(CC2)c3cnc4ccccc4n3)N1Cc5ccccc5
InChi:InChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2
定義日:2024-07-09
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
ZRN
ZRN
表記:(2R,3S)-3-[(2S)-2-amino-4,4-diethyl-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
組成式:C29 H36 N4 O5
SMILES:OC1Cc2ccccc2C1NC(=O)c1cc2c(cc1)OC(C)(COC)C2N1C(=N)NC(CC)(CC)CC1=O
InChi:InChI=1S/C29H36N4O5/c1-5-29(6-2)15-23(35)33(27(30)32-29)25-20-13-18(11-12-22(20)38-28(25,3)16-37-4)26(36)31-24-19-10-8-7-9-17(19)14-21(24)34/h7-13,21,24-25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36)/t21-,24-,25+,28+/m1/s1
定義日:2023-03-24
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2R,3S)-3-[(2Z)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
A1IUA
A1IUA
表記:alpha-damascone
組成式:C13 H20 O
SMILES:CC=CC(=O)[CH]1C(=CCCC1(C)C)C
InChi:InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+/t12-/m0/s1
別名:(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
定義日:2024-11-14
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
A1IUB
A1IUB
表記:alpha-ionone
組成式:C13 H20 O
SMILES:CC(=O)C=C[CH]1C(=CCCC1(C)C)C
InChi:InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
別名:(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
定義日:2024-11-14
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
A1IYU
A1IYU
表記:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
組成式:C18 H16 N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3C
InChi:InChI=1S/C18H16N2O3S/c1-11-5-3-4-6-13(11)19-18-20-17(22)16(24-18)10-12-7-8-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
定義日:2025-01-16
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
A1IYV
A1IYV
表記:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
組成式:C18 H16 N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(C)c3
InChi:InChI=1S/C18H16N2O3S/c1-11-4-3-5-13(8-11)19-18-20-17(22)16(24-18)10-12-6-7-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2025-01-16
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
A1IYY
A1IYY
表記:(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
組成式:C17 H13 F N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(F)c3
InChi:InChI=1S/C17H13FN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-
定義日:2025-01-16
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
A1IYZ
A1IYZ
表記:(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
組成式:C17 H13 Cl N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(Cl)c3
InChi:InChI=1S/C17H13ClN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-
別名:CGP 53820
定義日:2025-01-16
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
YFU
YFU
表記:1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one
組成式:C32 H40 N4 O4
SMILES:CCN1CCN(CC(=O)[CH]2Cc3ccccc3CN2)C(=O)c4ccc(cc14)C(=O)N5CCC6(CC5)CC(C6)OC
InChi:InChI=1S/C32H40N4O4/c1-3-34-14-15-36(21-29(37)27-16-22-6-4-5-7-24(22)20-33-27)31(39)26-9-8-23(17-28(26)34)30(38)35-12-10-32(11-13-35)18-25(19-32)40-2/h4-9,17,25,27,33H,3,10-16,18-21H2,1-2H3/t27-/m0/s1
定義日:2023-11-30
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one
A1AFF
A1AFF
表記:(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine
組成式:C13 H18 N2 O2 S2
SMILES:O=S(=O)(N1CCC(N1)c1ccccc1)C1CCCS1
InChi:InChI=1S/C13H18N2O2S2/c16-19(17,13-7-4-10-18-13)15-9-8-12(14-15)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13+/m0/s1
定義日:2024-02-23
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine
A1H6Z
A1H6Z
表記:(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanal
組成式:C8 H11 N3 O2
SMILES:N[CH](Cc1ccc(N)nc1)C(O)=O
InChi:InChI=1S/C8H11N3O2/c9-6(8(12)13)3-5-1-2-7(10)11-4-5/h1-2,4,6H,3,9H2,(H2,10,11)(H,12,13)/t6-/m0/s1
定義日:2024-03-27
最終更新日:2025-02-21
公開日:2025-02-26
識別子（ID）:(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanoic acid

238582

件を2025-07-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon