Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
4BS
4BS
Name:4-amino-N-[4-(benzyloxy)phenyl]butanamide
Formula:C17 H20 N2 O2
SMILES:O=C(Nc2ccc(OCc1ccccc1)cc2)CCCN
InChi:InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)
Definition date:2008-03-17
Last modified:2011-06-04
Identifier:4-amino-N-[4-(benzyloxy)phenyl]butanamide
4BU
4BU
Name:(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
Formula:C19 H22 N2 O5
SMILES:O=C(O)C(N)CCC(=O)Nc2ccc(OCC(O)c1ccccc1)cc2
InChi:InChI=1S/C19H22N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25)/t16-,17+/m0/s1
Definition date:2008-03-17
Last modified:2011-06-04
Identifier:N-{4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl}-L-glutamine
4BX
4BX
Name:3-(1H-benzimidazol-2-yl)propanoic acid
Formula:C10 H10 N2 O2
SMILES:O=C(O)CCc2nc1ccccc1n2
InChi:InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:3-(1H-benzimidazol-2-yl)propanoic acid
4BZ
4BZ
Name:4-(HYDROXYMETHYL)BENZAMIDINE
Formula:C8 H10 N2 O
SMILES:OCc1ccc(C(=[N@H])N)cc1
InChi:InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)
Definition date:2004-01-26
Last modified:2011-06-04
Identifier:4-(hydroxymethyl)benzenecarboximidamide
4CD
4CD
Name:4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
Formula:C18 H18 Cl N O3
SMILES:O=C(c1cc(Cl)c(O)cc1O)N3C(c2c(cccc2)C)CCC3
InChi:InChI=1S/C18H18ClNO3/c1-11-5-2-3-6-12(11)15-7-4-8-20(15)18(23)13-9-14(19)17(22)10-16(13)21/h2-3,5-6,9-10,15,21-22H,4,7-8H2,1H3/t15-/m1/s1
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:(5-chloro-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
4CH
4CH
Name:4-chlorophenol
Formula:C6 H5 Cl O
SMILES:Clc1ccc(O)cc1
InChi:InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Definition date:2009-01-13
Last modified:2011-06-04
Identifier:4-chlorophenol
4CL
4CL
Name:4-CHLOROBENZENE-1,2-DIOL
Formula:C6 H5 Cl O2
SMILES:Clc1cc(O)c(O)cc1
InChi:InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
Definition date:2007-06-18
Last modified:2011-06-04
Identifier:4-chlorobenzene-1,2-diol
4CP
4CP
Name:2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE
Formula:C18 H20 Cl N5 O2 S
SMILES:Clc2ccc(SCC(=O)NC(C(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2
InChi:InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)/t15-/m0/s1
Definition date:2005-07-04
Last modified:2011-06-04
Identifier:4-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide
4CT
4CT
Name:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
Formula:C18 H20 Cl N5 O S
SMILES:Clc4ccc(SCC3CN(Cc2cnc1c2ncnc1N)CC3O)cc4
InChi:InChI=1S/C18H20ClN5OS/c19-13-1-3-14(4-2-13)26-9-12-7-24(8-15(12)25)6-11-5-21-17-16(11)22-10-23-18(17)20/h1-5,10,12,15,21,25H,6-9H2,(H2,20,22,23)/t12-,15+/m1/s1
Definition date:2010-07-29
Last modified:2011-06-04
Identifier:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
4E6
4E6
Name:(4E,6E)-hexadeca-1,4,6-triene
Formula:C16 H28
SMILES:C(=C/C=C/CCCCCCCCC)CC=C
InChi:InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,7,9,11,13H,1,4-6,8,10,12,14-16H2,2H3/b9-7+,13-11+
Definition date:2010-10-12
Last modified:2011-06-04
Identifier:(4E,6E)-hexadeca-1,4,6-triene
4EA
4EA
Name:(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
Formula:C23 H22 N4 O
SMILES:n1ccc(cc1)C=Cc4cc(OCC(N)Cc3c2ccccc2nc3)cnc4
InChi:InChI=1S/C23H22N4O/c24-20(12-19-14-27-23-4-2-1-3-22(19)23)16-28-21-11-18(13-26-15-21)6-5-17-7-9-25-10-8-17/h1-11,13-15,20,27H,12,16,24H2/b6-5+/t20-/m0/s1
Definition date:2005-12-23
Last modified:2011-06-04
Identifier:(2S)-1-(1H-indol-3-yl)-3-({5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl}oxy)propan-2-amine
4EB
4EB
Name:4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Formula:C29 H26 F N3 O5 S2
SMILES:Fc1ccc(cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N+]([O-])=O)c3)NCCSc4ccc(cc4C)C
InChi:InChI=1S/C29H26FN3O5S2/c1-19-3-14-28(20(2)17-19)39-16-15-31-26-13-12-25(18-27(26)33(35)36)40(37,38)32-29(34)23-6-4-21(5-7-23)22-8-10-24(30)11-9-22/h3-14,17-18,31H,15-16H2,1-2H3,(H,32,34)
Definition date:2005-03-09
Last modified:2011-06-04
Identifier:N-{[4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluorobiphenyl-4-carboxamide
4F8
4F8
Name:2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID
Formula:C11 H8 N2 O4
SMILES:O=C(O)c2nc(c1ccccc1)nc2C(=O)O
InChi:InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)
Definition date:2010-08-25
Last modified:2011-06-04
Identifier:2-phenyl-1H-imidazole-4,5-dicarboxylic acid
4FA
4FA
Name:4-FLUOROPHENETHYL ALCOHOL
Formula:C8 H9 F O
SMILES:Fc1ccc(cc1)CCO
InChi:InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
Definition date:2003-04-01
Last modified:2011-06-04
Identifier:2-(4-fluorophenyl)ethanol
4FC
4FC
Name:4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID
Formula:C13 H9 F O2
SMILES:Fc2ccc(c1ccc(C(=O)O)cc1)cc2
InChi:InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
Definition date:2005-03-04
Last modified:2011-06-04
Identifier:4'-fluorobiphenyl-4-carboxylic acid
4FF
4FF
Name:5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:C11 H10 N2 O2
SMILES:O=C(O)c2nc(c1ccccc1)nc2C
InChi:InChI=1S/C11H10N2O2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
Definition date:2010-08-25
Last modified:2011-06-04
Identifier:5-methyl-2-phenyl-1H-imidazole-4-carboxylic acid
4FI
4FI
Name:(2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid
Formula:C24 H21 N3 O3
SMILES:O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4cc3ccccc3cc4
InChi:InChI=1S/C24H21N3O3/c1-27-22(15-20(26-27)18-8-3-2-4-9-18)23(28)25-21(24(29)30)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3,(H,25,28)(H,29,30)/t21-/m1/s1
Definition date:2009-10-23
Last modified:2011-06-04
Identifier:(2R)-2-{[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino}-3-(naphthalen-2-yl)propanoic acid (non-preferred name)
4FP
4FP
Name:4-(4-FLUOROBENZYL)PIPERIDINE
Formula:C12 H16 F N
SMILES:Fc1ccc(cc1)CC2CCNCC2
InChi:InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
Definition date:2007-01-12
Last modified:2011-06-04
Identifier:4-(4-fluorobenzyl)piperidine
4FY
4FY
Name:4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Formula:C15 H15 N3 O4
SMILES:O=C(c2nc(c1ccccc1)nc2C(=O)O)N3CCOCC3
InChi:InChI=1S/C15H15N3O4/c19-14(18-6-8-22-9-7-18)11-12(15(20)21)17-13(16-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)(H,20,21)
Definition date:2010-08-25
Last modified:2011-06-04
Identifier:4-(morpholin-4-ylcarbonyl)-2-phenyl-1H-imidazole-5-carboxylic acid
4G2
4G2
Name:2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:C11 H9 Cl N2 O2
SMILES:Clc1cccc(c1)c2nc(c(n2)C)C(=O)O
InChi:InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16)
Definition date:2010-08-25
Last modified:2011-06-04
Identifier:2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
4G8
4G8
Name:4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Formula:C20 H17 N3 O5
SMILES:O=C(O)CN(C(=O)c2nc(c1ccccc1)nc2C(=O)O)Cc3ccccc3
InChi:InChI=1S/C20H17N3O5/c24-15(25)12-23(11-13-7-3-1-4-8-13)19(26)16-17(20(27)28)22-18(21-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,21,22)(H,24,25)(H,27,28)
Definition date:2010-08-25
Last modified:2011-06-04
Identifier:4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid
4GE
4GE
Name:5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:C19 H16 Cl N3 O3
SMILES:Clc1cccc(c1)c2nc(c(n2)C(=O)N(Cc3ccccc3)C)C(=O)O
InChi:InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26)
Definition date:2010-08-25
Last modified:2011-06-04
Identifier:5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1H-imidazole-4-carboxylic acid
4GH
4GH
Name:N-{(2S,3R)-1-[(4-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
Formula:C50 H99 N O7
SMILES:O=C(NC(COC1OC(CC(O)C1O)CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(55)51-45(43-57-50-49(56)47(54)41-44(42-52)58-50)46(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-47,49-50,52-54,56H,3-43H2,1-2H3,(H,51,55)/t44-,45-,46+,47-,49+,50-/m0/s1
Definition date:2010-12-06
Last modified:2011-06-04
Identifier:N-{(2S,3R)-1-[(4-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
4HD
4HD
Name:(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
Formula:C22 H32 O3
SMILES:O=C(O)CCC(O)C=CC=C/CC=C/CC=C/CC=C/CC=C/CC
InChi:InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1
Definition date:2008-06-02
Last modified:2011-06-04
Identifier:(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
4HG
4HG
Name:N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Formula:C12 H9 I N2 O4
SMILES:O=C(O)CNC(=O)c2ncc1c(I)cccc1c2O
InChi:InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17)
Definition date:2006-02-22
Last modified:2011-06-04
Identifier:N-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine

226262

PDB entries from 2024-10-16

PDB statisticsPDBj update infoContact PDBjnumon