Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
3AP
3AP
Name:3-AMINOPYRIDINE
Formula:C5 H7 N2
SMILES:Nc1ccc[nH+]c1
InChi:InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2/p+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-aminopyridinium
3B3
3B3
Name:(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL
Formula:C12 H14 N4 O3
SMILES:[O-][N+](=O)c1ccc(NCC(O)CN)c2ncccc12
InChi:InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1
Definition date:2006-03-09
Last modified:2011-06-04
Identifier:(2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
3B6
3B6
Name:(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
Formula:C18 H14 I N3 O3
SMILES:N#Cc1ccc(cc1I)NC(=O)C(O)(COc2ccc(C#N)cc2)C
InChi:InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1
Definition date:2007-11-28
Last modified:2011-06-04
Identifier:(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
3BE
3BE
Name:3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Formula:C14 H9 Br3 N2 O3
SMILES:Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2cccc(Br)c2
InChi:InChI=1S/C14H9Br3N2O3/c15-9-3-1-2-7(4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
Definition date:2008-07-16
Last modified:2011-06-04
Identifier:3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
3BM
3BM
Name:2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
Formula:C16 H14 Cl F2 I N2 O4
SMILES:Clc2cc(I)ccc2Nc1c(C(=O)NOCC(O)CO)ccc(F)c1F
InChi:InChI=1S/C16H14ClF2IN2O4/c17-11-5-8(20)1-4-13(11)21-15-10(2-3-12(18)14(15)19)16(25)22-26-7-9(24)6-23/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
Definition date:2008-10-09
Last modified:2011-06-04
Identifier:2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
3BP
3BP
Name:2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
Formula:C30 H36 N6 O5 S
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)Cc3ccc(c2ccccc2)cc3)CC
InChi:InChI=1S/C30H36N6O5S/c1-2-42(40,41)36-26(18-20-8-12-23(13-9-20)22-6-4-3-5-7-22)30(39)35-25(16-17-27(31)37)29(38)34-19-21-10-14-24(15-11-21)28(32)33/h3-15,25-26,36H,2,16-19H2,1H3,(H2,31,37)(H3,32,33)(H,34,38)(H,35,39)/t25-,26+/m0/s1
Definition date:2004-11-29
Last modified:2011-06-04
Identifier:(2S)-2-({(2R)-3-biphenyl-4-yl-2-[(ethylsulfonyl)amino]propanoyl}amino)-N~1~-(4-carbamimidoylbenzyl)pentanediamide (non-preferred name)
3BZ
3BZ
Name:3-chlorobenzoate
Formula:C7 H5 Cl O2
SMILES:O=C(O)c1cc(Cl)ccc1
InChi:InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
Definition date:2007-10-29
Last modified:2011-06-04
Identifier:3-chlorobenzoic acid
3C4
3C4
Name:(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID
Formula:C8 H7 Cl O3
SMILES:Clc1cc(ccc1O)CC(=O)O
InChi:InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
Definition date:2006-06-02
Last modified:2011-06-04
Identifier:(3-chloro-4-hydroxyphenyl)acetic acid
3CA
3CA
Name:2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID
Formula:C13 H8 Cl2 O3
SMILES:Clc2cc(Cl)ccc2c1ccc(O)c(C(=O)O)c1
InChi:InChI=1S/C13H8Cl2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
Definition date:2005-10-04
Last modified:2011-06-04
Identifier:2',4'-dichloro-4-hydroxybiphenyl-3-carboxylic acid
3CC
3CC
Name:N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide
Formula:C17 H26 N2 O3 S
SMILES:O=S(=O)(c1ccc2c(c1)CC(NC(=O)C(CCC)CCC)C2)N
InChi:InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1
Definition date:2007-09-04
Last modified:2011-06-04
Identifier:2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide
3CE
3CE
Name:3-chlorobenzene-1,2-diol
Formula:C6 H5 Cl O2
SMILES:Clc1cccc(O)c1O
InChi:InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
Definition date:2009-07-09
Last modified:2011-06-04
Identifier:3-chlorobenzene-1,2-diol
3CH
3CH
Name:3-CHLOROPHENOL
Formula:C6 H5 Cl O
SMILES:Clc1cc(O)ccc1
InChi:InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
Definition date:2002-04-18
Last modified:2011-06-04
Identifier:3-chlorophenol
3CP
3CP
Name:3-CARBOXYPROPYL-COENZYME A
Formula:C25 H42 N7 O18 P3 S
SMILES:O=C(O)CCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(33)27-7-9-54-8-3-4-16(34)35)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,36-37H,3-11H2,1-2H3,(H,27,33)(H,28,38)(H,34,35)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)
3CY
3CY
Name:(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID
Formula:C31 H34 N4 O9 S
SMILES:O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4
InChi:InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1
Definition date:2003-11-24
Last modified:2011-06-04
Identifier:(3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
3CZ
3CZ
Name:(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
Formula:C21 H27 N3 O4 S
SMILES:[O-][N+](=O)c1ccc(cc1)N2CC(N(CC2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C
InChi:InChI=1S/C21H27N3O4S/c1-16-15-22(18-7-9-19(10-8-18)24(25)26)13-14-23(16)29(27,28)20-11-5-17(6-12-20)21(2,3)4/h5-12,16H,13-15H2,1-4H3/t16-/m1/s1
Definition date:2008-04-30
Last modified:2011-06-04
Identifier:(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
3DA
3DA
Name:3'-DEOXYADENOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
InChi:InChI=1S/C10H14N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(21-10)2-20-22(17,18)19/h3-6,10,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
Definition date:2004-02-09
Last modified:2011-06-04
Identifier:3'-deoxy-5'-adenylic acid
3DD
3DD
Name:(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID
Formula:C10 H12 N4 O4
SMILES:O=C(O)C(O)C(O)Cn1c2ccnc(c2nc1)N
InChi:InChI=1S/C10H12N4O4/c11-9-7-5(1-2-12-9)14(4-13-7)3-6(15)8(16)10(17)18/h1-2,4,6,8,15-16H,3H2,(H2,11,12)(H,17,18)/t6-,8-/m1/s1
Definition date:2006-06-05
Last modified:2011-06-04
Identifier:(2R,3R)-4-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid
3DT
3DT
Name:3-methylthymidine
Formula:C11 H16 N2 O5
SMILES:CN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](O)[CH](CO)O2
InChi:InChI=1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1
Definition date:2010-02-16
Last modified:2011-06-04
Identifier:1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione
3EJ
3EJ
Name:4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid
Formula:C22 H17 F N6 O3
SMILES:Fc1cccc(c1)CNC(=O)c4nccc(c2nn(nn2)Cc3ccc(C(=O)O)cc3)c4
InChi:InChI=1S/C22H17FN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
Definition date:2009-10-29
Last modified:2011-06-04
Identifier:4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2H-tetrazol-2-yl)methyl]benzoic acid
3ET
3ET
Name:O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine
Formula:C16 H21 N3 O10
SMILES:O=C(OCC(N)C(=O)OCC(C(=O)O)NC(=O)c1cccc(O)c1O)C(N)CO
InChi:InChI=1S/C16H21N3O10/c17-8(4-20)15(26)28-5-9(18)16(27)29-6-10(14(24)25)19-13(23)7-2-1-3-11(21)12(7)22/h1-3,8-10,20-22H,4-6,17-18H2,(H,19,23)(H,24,25)/t8-,9-,10+/m1/s1
Definition date:2009-06-26
Last modified:2011-06-04
Identifier:O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine
3FD
3FD
Name:4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
Formula:C25 H23 Cl2 N7 O4
SMILES:Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)COCc5ccc(C#N)cc5)N
InChi:InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1
Definition date:2009-01-28
Last modified:2011-06-04
Identifier:5'-O-(4-cyanobenzyl)-8-[(3,4-dichlorobenzyl)amino]adenosine
3FI
3FI
Name:3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
Formula:C16 H18 N4 O5
SMILES:O=C1NC(=CC(=O)N1)CNCCCON=Cc2cccc(C(=O)O)c2
InChi:InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-17-5-2-6-25-18-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-9,17H,2,5-6,10H2,(H,22,23)(H2,19,20,21,24)/b18-9+
Definition date:2008-11-24
Last modified:2011-06-04
Identifier:3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
3FL
3FL
Name:3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
Formula:C17 H22 N4 O4
SMILES:O=C1NC(=CC(=O)N1)CNCCCCNCc2cc(C(=O)O)ccc2
InChi:InChI=1S/C17H22N4O4/c22-15-9-14(20-17(25)21-15)11-19-7-2-1-6-18-10-12-4-3-5-13(8-12)16(23)24/h3-5,8-9,18-19H,1-2,6-7,10-11H2,(H,23,24)(H2,20,21,22,25)
Definition date:2008-11-24
Last modified:2011-06-04
Identifier:3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
3FN
3FN
Name:6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:C19 H18 F2 N4 O3
SMILES:Fc4ccc(OC=2C(=O)N(c1nc(ncc1C=2)NC3CCOCC3)C)c(F)c4
InChi:InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)
Definition date:2008-12-29
Last modified:2011-06-04
Identifier:6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
3FT
3FT
Name:2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID
Formula:C20 H15 F4 N O4
SMILES:O=C(C1=C(C(=O)O)CCC1)Nc3ccc(c2cccc(OC(F)(F)F)c2)cc3F
InChi:InChI=1S/C20H15F4NO4/c21-16-10-12(11-3-1-4-13(9-11)29-20(22,23)24)7-8-17(16)25-18(26)14-5-2-6-15(14)19(27)28/h1,3-4,7-10H,2,5-6H2,(H,25,26)(H,27,28)
Definition date:2005-07-27
Last modified:2011-06-04
Identifier:2-{[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

223532

数据于2024-08-07公开中

PDB statisticsPDBj update infoContact PDBjnumon