Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
JP8
JP8
表記:[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
組成式:C11 H17 N3 O4
SMILES:O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
InChi:InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/t7-,8+/m1/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
JPB
JPB
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
組成式:C11 H7 Cl3 N2 O3
SMILES:Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1
InChi:InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
JPQ
JPQ
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
組成式:C9 H12 N2 O3
SMILES:CC(C)=CC(=O)N[CH]1CC(=O)NC1=O
InChi:InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/m0/s1
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
JPW
JPW
表記:(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
組成式:C13 H21 N3 O4
SMILES:N[CH]1CC[CH](CC1)COC(=O)N[CH]2CCC(=O)NC2=O
InChi:InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/t8-,9-,10-/m0/s1
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
JQP
JQP
表記:N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
組成式:C26 H27 F N6
SMILES:c2(nc(Nc1cc(C)cc(C)c1)ncc2)c5c(c3ccc(F)cc3)ncn5C4CCNCC4
InChi:InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
定義日:2018-09-17
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
JQY
JQY
表記:N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
組成式:C26 H27 F N6
SMILES:c4(c3c(c1ccc(F)cc1)ncn3C2CCNCC2)ccnc(n4)Nc5ccc(c(C)c5)C
InChi:InChI=1S/C26H27FN6/c1-17-3-8-21(15-18(17)2)31-26-29-14-11-23(32-26)25-24(19-4-6-20(27)7-5-19)30-16-33(25)22-9-12-28-13-10-22/h3-8,11,14-16,22,28H,9-10,12-13H2,1-2H3,(H,29,31,32)
定義日:2018-09-18
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
K4T
K4T
表記:~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
組成式:C14 H15 N3 O
SMILES:Cn1nc(cc1C(=O)NC2CC2)c3ccccc3
InChi:InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18)
定義日:2019-04-24
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
K52
K52
表記:~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
組成式:C21 H22 N4 O4 S
SMILES:C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)[S](=O)(=O)NC(C)=O
InChi:InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1
定義日:2019-04-26
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
K58
K58
表記:4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
組成式:C20 H19 N3 O3
SMILES:C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(O)=O
InChi:InChI=1S/C20H19N3O3/c1-13(14-8-10-16(11-9-14)20(25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H,25,26)/t13-/m1/s1
定義日:2019-04-26
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
K5K
K5K
表記:2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid
組成式:C21 H20 Cl2 N2 O6 S
SMILES:Cn1c(cc2c(Cl)c(Cl)c(C)cc12)C(=O)N[CH](CO)c3ccc(cc3)[S](=O)(=O)CC(O)=O
InChi:InChI=1S/C21H20Cl2N2O6S/c1-11-7-16-14(20(23)19(11)22)8-17(25(16)2)21(29)24-15(9-26)12-3-5-13(6-4-12)32(30,31)10-18(27)28/h3-8,15,26H,9-10H2,1-2H3,(H,24,29)(H,27,28)/t15-/m1/s1
定義日:2019-04-26
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid
K5N
K5N
表記:2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
組成式:C21 H22 N4 O4 S
SMILES:C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)C(=O)N[S](C)(=O)=O
InChi:InChI=1S/C21H22N4O4S/c1-14(15-9-11-17(12-10-15)20(26)24-30(3,28)29)22-21(27)19-13-18(23-25(19)2)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1
定義日:2019-04-26
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
K6Y
K6Y
表記:(5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
組成式:C24 H22 F N5 O4
SMILES:c1(cc(C)on1)C(C)(O)C#Cc2c(cc3c(c2)c5n(C4CC3C4)c(c(n5)C(N)=O)C(=O)NC)F
InChi:InChI=1S/C24H22FN5O4/c1-11-6-18(29-34-11)24(2,33)5-4-12-9-16-15(10-17(12)25)13-7-14(8-13)30-20(23(32)27-3)19(21(26)31)28-22(16)30/h6,9-10,13-14,33H,7-8H2,1-3H3,(H2,26,31)(H,27,32)/t13-,14+,24-/m1/s1
定義日:2018-11-02
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
LUY
LUY
表記:~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
組成式:C15 H15 N3
SMILES:C(Cc1ccccc1)Nc2[nH]c3ccccc3n2
InChi:InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
B9L
B9L
表記:N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide
組成式:C21 H25 N3 O2
SMILES:N(C(C(=O)NC(Cc2c1c(cccc1)nc2)CO)Cc3ccccc3)C
InChi:InChI=1S/C21H25N3O2/c1-22-20(11-15-7-3-2-4-8-15)21(26)24-17(14-25)12-16-13-23-19-10-6-5-9-18(16)19/h2-10,13,17,20,22-23,25H,11-12,14H2,1H3,(H,24,26)/t17-,20-/m0/s1
定義日:2019-01-29
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide
B9O
B9O
表記:N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide
組成式:C17 H24 N2 O2 S
SMILES:N(C(C(=O)NC(Cc2c1ccccc1sc2)CO)C(C)C)C
InChi:InChI=1S/C17H24N2O2S/c1-11(2)16(18-3)17(21)19-13(9-20)8-12-10-22-15-7-5-4-6-14(12)15/h4-7,10-11,13,16,18,20H,8-9H2,1-3H3,(H,19,21)/t13-,16-/m0/s1
定義日:2019-01-29
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide
B9R
B9R
表記:N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide
組成式:C17 H25 N3 O2
SMILES:N(C)C(C(NC(Cc2c1c(cccc1)nc2)CO)=O)C(C)C
InChi:InChI=1S/C17H25N3O2/c1-11(2)16(18-3)17(22)20-13(10-21)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,16,18-19,21H,8,10H2,1-3H3,(H,20,22)/t13-,16-/m0/s1
定義日:2019-01-29
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide
B9U
B9U
表記:(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide
組成式:C16 H22 N2 O3
SMILES:c1cccc2c1c(cn2)CC(NC(C(O)C(C)C)=O)CO
InChi:InChI=1S/C16H22N2O3/c1-10(2)15(20)16(21)18-12(9-19)7-11-8-17-14-6-4-3-5-13(11)14/h3-6,8,10,12,15,17,19-20H,7,9H2,1-2H3,(H,18,21)/t12-,15-/m0/s1
定義日:2019-01-29
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide
J6P
J6P
表記:(5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
組成式:C21 H23 Cl2 N3 O
SMILES:c1(c(cc3c(c1)nc2C(C4C6(Cc23)CN5C(C4)(CCC5)C(=O)N6)(C)C)Cl)Cl
InChi:InChI=1S/C21H23Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1
定義日:2018-08-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
JKQ
JKQ
表記:(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
組成式:C19 H18 N4 O2 S
SMILES:CCc1sc2ncnc(N[CH](C)C(O)=O)c2c1c3ccc4[nH]ccc4c3
InChi:InChI=1S/C19H18N4O2S/c1-3-14-15(12-4-5-13-11(8-12)6-7-20-13)16-17(23-10(2)19(24)25)21-9-22-18(16)26-14/h4-10,20H,3H2,1-2H3,(H,24,25)(H,21,22,23)/t10-/m1/s1
定義日:2019-03-08
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
D0U
D0U
表記:4-azanyl-2-sulfanyl-benzoic acid
組成式:C7 H7 N O2 S
SMILES:Nc1ccc(C(O)=O)c(S)c1
InChi:InChI=1S/C7H7NO2S/c8-4-1-2-5(7(9)10)6(11)3-4/h1-3,11H,8H2,(H,9,10)
定義日:2019-05-31
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:4-azanyl-2-sulfanyl-benzoic acid
EW2
EW2
表記:2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole
組成式:C21 H16 Cl N5
SMILES:Clc1[nH]c2ccccc2c1c3nn(cc3Cn4ccnc4)c5ccccc5
InChi:InChI=1S/C21H16ClN5/c22-21-19(17-8-4-5-9-18(17)24-21)20-15(12-26-11-10-23-14-26)13-27(25-20)16-6-2-1-3-7-16/h1-11,13-14,24H,12H2
定義日:2018-04-27
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole
EW5
EW5
表記:1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
組成式:C21 H17 N5 O
SMILES:O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4
InChi:InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27)
定義日:2018-04-27
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
NQ7
NQ7
表記:(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
組成式:C13 H13 N3 O2
SMILES:c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
InChi:InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1
定義日:2019-05-23
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
NSJ
NSJ
表記:3-[(thiomorpholin-4-yl)methyl]phenol
組成式:C11 H15 N O S
SMILES:N1(CCSCC1)Cc2cccc(c2)O
InChi:InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:3-[(thiomorpholin-4-yl)methyl]phenol
NT7
NT7
表記:N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
組成式:C14 H20 N2 O2
SMILES:N(C(=O)CN1CCOCC1)c2cccc(c2C)C
InChi:InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide

224572

件を2024-09-04に公開中

PDB statisticsPDBj update infoContact PDBjnumon