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
3FI
3FI
表記:3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
組成式: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+
定義日:2008-11-24
最終更新日:2011-06-04
識別子（ID）:3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
3FL
3FL
表記:3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
組成式: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)
定義日:2008-11-24
最終更新日:2011-06-04
識別子（ID）:3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
3FN
3FN
表記:6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
組成式: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)
定義日:2008-12-29
最終更新日:2011-06-04
識別子（ID）:6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
3FT
3FT
表記:2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID
組成式: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)
定義日:2005-07-27
最終更新日:2011-06-04
識別子（ID）:2-{[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
3FZ
3FZ
表記:3-formylbenzenecarboximidamide
組成式:C8 H8 N2 O
SMILES:O=Cc1cccc(C(=[N@H])N)c1
InChi:InChI=1S/C8H8N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5H,(H3,9,10)
定義日:2009-10-08
最終更新日:2011-06-04
識別子（ID）:3-formylbenzenecarboximidamide
3G3
3G3
表記:2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
組成式:C11 H9 N5 O2
SMILES:O=C1N(C(=O)c2ccccc12)CCc3nnnn3
InChi:InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)
定義日:2009-02-03
最終更新日:2011-06-04
識別子（ID）:2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
3GH
3GH
表記:N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
組成式:C50 H99 N O7
SMILES:O=C(NC(COC1OC(C(O)CC1O)CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-49(56)51-44(43-57-50-47(55)41-46(54)48(42-52)58-50)45(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-48,50,52-55H,3-43H2,1-2H3,(H,51,56)/t44-,45+,46+,47+,48+,50-/m0/s1
定義日:2010-12-03
最終更新日:2011-06-04
識別子（ID）:N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
3GN
3GN
表記:2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide
組成式:C13 H16 N4 O
SMILES:O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3
InChi:InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1
定義日:2009-03-17
最終更新日:2011-06-04
識別子（ID）:2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide
3GP
3GP
表記:GUANOSINE-3'-MONOPHOSPHATE
組成式:C10 H14 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
InChi:InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3'-guanylic acid
3GU
3GU
表記:N6-cyclopentyladenosine
組成式:C15 H21 N5 O4
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC4CCCC4
InChi:InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
定義日:2009-04-10
最終更新日:2011-06-04
識別子（ID）:N-cyclopentyladenosine
3GV
3GV
表記:(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
組成式:C11 H11 N O4
SMILES:O=C2N(c1c(O)cccc1)CC(C(=O)O)C2
InChi:InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1
定義日:2009-04-02
最終更新日:2011-06-04
識別子（ID）:(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
3HF
3HF
表記:N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide
組成式:C36 H46 N4 O4
SMILES:O=C(c2c1ccccc1n(c2)C(=O)N(CCCC)CCCC)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4
InChi:InChI=1S/C36H46N4O4/c1-4-6-20-39(21-7-5-2)36(43)40-26-31(30-18-11-12-19-33(30)40)35(42)38-32(23-27-14-9-8-10-15-27)34(41)25-37-24-28-16-13-17-29(22-28)44-3/h8-19,22,26,32,34,37,41H,4-7,20-21,23-25H2,1-3H3,(H,38,42)/t32-,34+/m0/s1
定義日:2010-08-19
最終更新日:2011-06-04
識別子（ID）:N~1~,N~1~-dibutyl-N~3~-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-1H-indole-1,3-dicarboxamide
3HH
3HH
表記:N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide
組成式:C34 H37 F2 N5 O4
SMILES:Fc1cc(cc(F)c1)CC(NC(=O)c3c2cc(C#N)ccc2n(c3)C(=O)N(CCCC)C)C(O)CNCc4cccc(OC)c4
InChi:InChI=1S/C34H37F2N5O4/c1-4-5-11-40(2)34(44)41-21-29(28-15-22(18-37)9-10-31(28)41)33(43)39-30(16-24-12-25(35)17-26(36)13-24)32(42)20-38-19-23-7-6-8-27(14-23)45-3/h6-10,12-15,17,21,30,32,38,42H,4-5,11,16,19-20H2,1-3H3,(H,39,43)/t30-,32+/m0/s1
定義日:2010-08-19
最終更新日:2011-06-04
識別子（ID）:N~1~-butyl-5-cyano-N~3~-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]butan-2-yl}-N~1~-methyl-1H-indole-1,3-dicarboxamide
3HP
3HP
表記:3-HYDROXYPHENYLACETATE
組成式:C8 H8 O3
SMILES:O=C(O)Cc1cc(O)ccc1
InChi:InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3-hydroxyphenyl)acetic acid
3HT
3HT
表記:5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione
組成式:C16 H12 N4 O2 S
SMILES:S=C1OC(=NN1)c4cc2c(ncn2c3ccc(OC)cc3)cc4
InChi:InChI=1S/C16H12N4O2S/c1-21-12-5-3-11(4-6-12)20-9-17-13-7-2-10(8-14(13)20)15-18-19-16(23)22-15/h2-9H,1H3,(H,19,23)
定義日:2008-11-19
最終更新日:2011-06-04
識別子（ID）:5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione
3ID
3ID
表記:3H-INDOLE-5,6-DIOL
組成式:C8 H7 N O2
SMILES:Oc1cc2c(cc1O)ncc2
InChi:InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
定義日:2000-07-13
最終更新日:2011-06-04
識別子（ID）:1H-indole-5,6-diol
3II
3II
表記:N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
組成式:C32 H34 Cl2 N4 O5
SMILES:Clc1ccc(c(Cl)c1)CCNC(=O)CN3C(=O)C5(N(c2ccccc2)C3)CCN(C(=O)c4ccc(OC)cc4OC)CC5
InChi:InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)
定義日:2009-08-04
最終更新日:2011-06-04
識別子（ID）:N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
3IO
3IO
表記:3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
組成式:C11 H9 N O3
SMILES:O=C(O)C(=O)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
定義日:2006-03-06
最終更新日:2011-06-04
識別子（ID）:3-(1H-indol-3-yl)-2-oxopropanoic acid
3IP
3IP
表記:3-(BENZYLOXY)PYRIDIN-2-AMINE
組成式:C12 H12 N2 O
SMILES:O(c1cccnc1N)Cc2ccccc2
InChi:InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
定義日:2004-09-02
最終更新日:2011-06-04
識別子（ID）:3-(benzyloxy)pyridin-2-amine
3JZ
3JZ
表記:N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
組成式:C22 H21 F3 N6 O3 S
SMILES:O=S(=O)(N(c1ccccc1CNc2nc(ncc2C(F)(F)F)Nc3cc4c(cc3)NC(=O)C4)C)C
InChi:InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
定義日:2009-02-04
最終更新日:2011-06-04
識別子（ID）:N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
3KC
3KC
表記:3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol
組成式:C20 H12 Cl N3 O
SMILES:Clc5cc(O)ccc5C1=Nc4c(c2c3c1cnc3ncc2)cccc4
InChi:InChI=1S/C20H12ClN3O/c21-16-9-11(25)5-6-14(16)19-15-10-23-20-18(15)13(7-8-22-20)12-3-1-2-4-17(12)24-19/h1-10,25H,(H,22,23)
定義日:2009-10-22
最終更新日:2011-06-04
識別子（ID）:3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol
3MQ
3MQ
表記:(5-thiophen-2-ylisoxazol-3-yl)methanol
組成式:C8 H7 N O2 S
SMILES:n2oc(c1sccc1)cc2CO
InChi:InChI=1S/C8H7NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-4,10H,5H2
定義日:2010-04-28
最終更新日:2011-06-04
識別子（ID）:[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methanol
3N2
3N2
表記:(5-chloro-1-benzothiophen-3-yl)acetic acid
組成式:C10 H7 Cl O2 S
SMILES:O=C(O)Cc1c2cc(Cl)ccc2sc1
InChi:InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)
定義日:2010-05-19
最終更新日:2011-06-04
識別子（ID）:(5-chloro-1-benzothiophen-3-yl)acetic acid
3N3
3N3
表記:(2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
組成式:C17 H15 N O4
SMILES:O=C(O)C2N(c1ccccc1C2)C(=O)OCc3ccccc3
InChi:InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m0/s1
定義日:2010-05-25
最終更新日:2011-06-04
識別子（ID）:(2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
3N4
3N4
表記:naphtho[2,1-b]thiophen-1-ylacetic acid
組成式:C14 H10 O2 S
SMILES:O=C(O)Cc1c3c(sc1)ccc2ccccc23
InChi:InChI=1S/C14H10O2S/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16)
定義日:2010-05-25
最終更新日:2011-06-04
識別子（ID）:naphtho[2,1-b]thiophen-1-ylacetic acid

226262

件を2024-10-16に公開中

PDB statisticsPDBj update infoContact PDBjnumon