Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
W7P
W7P
Name:5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:C14 H12 N2 O6
SMILES:O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(C(=O)O)cc2
InChi:InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-2,4-5H,3,6H2,(H,18,19)(H,20,21)(H2,15,16,17,22)
Definition date:2013-03-13
Last modified:2014-02-28
Release date:2014-03-05
Identifier:5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
W7Q
W7Q
Name:5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:C20 H23 N3 O6
SMILES:O=C(O)C=1NC(=O)NC(=O)C=1CCc2cc3c(cc2)N(C(=O)OC(C)(C)C)CC3
InChi:InChI=1S/C20H23N3O6/c1-20(2,3)29-19(28)23-9-8-12-10-11(5-7-14(12)23)4-6-13-15(17(25)26)21-18(27)22-16(13)24/h5,7,10H,4,6,8-9H2,1-3H3,(H,25,26)(H2,21,22,24,27)
Definition date:2013-03-13
Last modified:2014-02-28
Release date:2014-03-05
Identifier:5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
2RE
2RE
Name:4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
Formula:C20 H14 F N3 O
SMILES:Fc4ccc(c2nc(c1ccc(O)cc1)nc2c3ccncc3)cc4
InChi:InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
Definition date:2014-01-13
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
2RF
2RF
Name:3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione
Formula:C16 H10 Cl2 N2 O3
SMILES:O=C2C(Nc1cc(Cl)c(O)cc1)=C(C(=O)N2)c3cccc(Cl)c3
InChi:InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
Definition date:2014-01-13
Last modified:2014-02-28
Release date:2014-03-05
Identifier:3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione
2RK
2RK
Name:4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine
Formula:C22 H23 N5 O
SMILES:O=NC2=C1C=C/C(C=C1CC2)=C4/N=C(NC/4=C3C=CNC=C3)C5CCNCC5
InChi:InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,23-24H,2,4,7-8,11-12H2,(H,25,26)/b21-17-
Definition date:2014-01-13
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine
2RN
2RN
Name:3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
Formula:C20 H15 N3 O
SMILES:n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4
InChi:InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
Definition date:2014-01-13
Last modified:2014-02-28
Release date:2014-03-05
Identifier:3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
2RR
2RR
Name:3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
Formula:C20 H17 N7 O2
SMILES:O=C(c1ccc(N)cc1)Cn3c4ccccc4nc3c2nonc2NCCC#N
InChi:InChI=1S/C20H17N7O2/c21-10-3-11-23-19-18(25-29-26-19)20-24-15-4-1-2-5-16(15)27(20)12-17(28)13-6-8-14(22)9-7-13/h1-2,4-9H,3,11-12,22H2,(H,23,26)
Definition date:2014-01-14
Last modified:2014-02-28
Release date:2014-03-05
Identifier:3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
2S6
2S6
Name:4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:C27 H34 N2 O2
SMILES:N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4
InChi:InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1
Definition date:2014-01-17
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
2S7
2S7
Name:4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:C26 H33 N3 O2
SMILES:N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4
InChi:InChI=1S/C26H33N3O2/c27-20-21-9-11-24(12-10-21)31-19-5-16-29-17-13-23(14-18-29)26(30,22-6-1-2-7-22)25-8-3-4-15-28-25/h3-4,8-12,15,22-23,30H,1-2,5-7,13-14,16-19H2/t26-/m0/s1
Definition date:2014-01-16
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
2S9
2S9
Name:4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:C27 H33 F N2 O2
SMILES:Fc1cccc(c1)C(O)(C3CCN(CCCOc2ccc(C#N)cc2)CC3)C4CCCC4
InChi:InChI=1S/C27H33FN2O2/c28-25-8-3-7-24(19-25)27(31,22-5-1-2-6-22)23-13-16-30(17-14-23)15-4-18-32-26-11-9-21(20-29)10-12-26/h3,7-12,19,22-23,31H,1-2,4-6,13-18H2/t27-/m1/s1
Definition date:2014-01-16
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
2SE
2SE
Name:4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
Formula:C25 H35 N3 O4 S
SMILES:O=S(=O)(N)c4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4
InChi:InChI=1S/C25H35N3O4S/c26-33(30,31)23-11-9-22(10-12-23)32-19-5-16-28-17-13-21(14-18-28)25(29,20-6-1-2-7-20)24-8-3-4-15-27-24/h3-4,8-12,15,20-21,29H,1-2,5-7,13-14,16-19H2,(H2,26,30,31)/t25-/m0/s1
Definition date:2014-01-16
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
2SF
2SF
Name:4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:C27 H35 N3 O
SMILES:N#Cc4ccc(OCCCN1CCC(CC1)C(c2ccccc2)(N)C3CCCC3)cc4
InChi:InChI=1S/C27H35N3O/c28-21-22-11-13-26(14-12-22)31-20-6-17-30-18-15-25(16-19-30)27(29,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25H,4-6,9-10,15-20,29H2/t27-/m1/s1
Definition date:2014-01-16
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
2SX
2SX
Name:(5-bromo-1H-indol-3-yl)acetic acid
Formula:C10 H8 Br N O2
SMILES:O=C(O)Cc2c1cc(Br)ccc1nc2
InChi:InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
Definition date:2014-01-27
Last modified:2014-02-28
Release date:2014-03-05
Identifier:(5-bromo-1H-indol-3-yl)acetic acid
2SY
2SY
Name:[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Formula:C17 H14 Cl N O2
SMILES:O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(Cl)c3
InChi:InChI=1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21)
Definition date:2014-01-27
Last modified:2014-02-28
Release date:2014-03-05
Identifier:[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
2T2
2T2
Name:[1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Formula:C19 H15 N O2
SMILES:O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(C#C)c3
InChi:InChI=1S/C19H15NO2/c1-2-14-6-5-7-15(10-14)12-20-13-16(11-19(21)22)17-8-3-4-9-18(17)20/h1,3-10,13H,11-12H2,(H,21,22)
Definition date:2014-01-27
Last modified:2014-02-28
Release date:2014-03-05
Identifier:[1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
2T7
2T7
Name:[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Formula:C18 H16 N2 O5
SMILES:[O-][N+](=O)c1cc(c(OC)cc1)Cn3c2ccccc2c(c3)CC(=O)O
InChi:InChI=1S/C18H16N2O5/c1-25-17-7-6-14(20(23)24)8-13(17)11-19-10-12(9-18(21)22)15-4-2-3-5-16(15)19/h2-8,10H,9,11H2,1H3,(H,21,22)
Definition date:2014-01-27
Last modified:2014-02-28
Release date:2014-03-05
Identifier:[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
2T9
2T9
Name:[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Formula:C24 H22 N4 O5
SMILES:[O-][N+](=O)c1cc(c(OC)cc1)Cn3c2cc(ccc2c(c3)CC(=O)O)c4cc(N)cc(N)c4
InChi:InChI=1S/C24H22N4O5/c1-33-23-5-3-20(28(31)32)8-17(23)13-27-12-16(10-24(29)30)21-4-2-14(9-22(21)27)15-6-18(25)11-19(26)7-15/h2-9,11-12H,10,13,25-26H2,1H3,(H,29,30)
Definition date:2014-01-27
Last modified:2014-02-28
Release date:2014-03-05
Identifier:[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
2VD
2VD
Name:(2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Formula:C24 H23 Br N2 O5
SMILES:O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4
InChi:InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19-/m1/s1
Definition date:2014-02-24
Last modified:2014-02-28
Release date:2014-03-05
Identifier:(2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
2VE
2VE
Name:(2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Formula:C17 H17 Br N2 O5
SMILES:O=C(O)CNC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3
InChi:InChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1
Definition date:2014-02-24
Last modified:2014-02-28
Release date:2014-03-05
Identifier:(2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
2VF
2VF
Name:(2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Formula:C15 H15 Cl N2 O3
SMILES:O=C(O)C3CCc2c1c(ccc(Cl)c1)n(c2C3)CC(=O)N
InChi:InChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1
Definition date:2014-02-24
Last modified:2014-02-28
Release date:2014-03-05
Identifier:(2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
2VG
2VG
Name:(2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Formula:C13 H12 Cl N O2
SMILES:O=C(O)C3CCc2c1c(ccc(Cl)c1)nc2C3
InChi:InChI=1S/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/m1/s1
Definition date:2014-02-24
Last modified:2014-02-28
Release date:2014-03-05
Identifier:(2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
2VK
2VK
Name:4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:C27 H34 N2 O2
SMILES:N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4
InChi:InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m0/s1
Definition date:2014-02-25
Last modified:2014-02-28
Release date:2014-03-05
Identifier:4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
2VM
2VM
Name:(2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Formula:C24 H23 Br N2 O5
SMILES:O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4
InChi:InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
Definition date:2014-02-25
Last modified:2014-02-28
Release date:2014-03-05
Identifier:(2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
476
476
Name:3-butyl-1-(2,2-diphosphonoethyl)pyridinium
Formula:C11 H20 N O6 P2
SMILES:O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(c1)CCCC
InChi:InChI=1S/C11H19NO6P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(19(13,14)15)20(16,17)18/h4,6-8,11H,2-3,5,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1
Definition date:2013-04-05
Last modified:2014-02-28
Release date:2014-03-05
Identifier:3-butyl-1-(2,2-diphosphonoethyl)pyridinium
11Z
11Z
Name:11-cyclohexylundecanoic acid
Formula:C17 H32 O2
SMILES:O=C(O)CCCCCCCCCCC1CCCCC1
InChi:InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
Definition date:2014-02-13
Last modified:2014-02-28
Release date:2014-03-05
Identifier:11-cyclohexylundecanoic acid

224931

건을2024-09-11부터공개중

PDB statisticsPDBj update infoContact PDBjnumon