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
GQL
GQL
表記:(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
組成式:C21 H14 F2 N2 O2
SMILES:Fc4cc(c1ccnc2N=CC(c12)=C(O)c3cccc(OC)c3)cc(F)c4
InChi:InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11,26H,1H3/b20-18-
定義日:2009-05-27
最終更新日:2011-06-04
識別子（ID）:(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
TSI
TSI
表記:(2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL
組成式:C5 H13 N O2
SMILES:OC(C)C(O)(C)CN
InChi:InChI=1S/C5H13NO2/c1-4(7)5(2,8)3-6/h4,7-8H,3,6H2,1-2H3/t4-,5+/m1/s1
定義日:2000-11-02
最終更新日:2011-06-04
識別子（ID）:(2S,3R)-1-amino-2-methylbutane-2,3-diol
GR6
GR6
表記:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate
組成式:C32 H42 N2 O9 S
SMILES:O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN5CCCCC=CCCOc4cc(OC)ccc4S5(=O)=O
InChi:InChI=1S/C32H42N2O9S/c1-39-24-13-14-30-28(20-24)40-17-10-5-3-2-4-9-16-34(44(30,37)38)21-27(35)26(19-23-11-7-6-8-12-23)33-32(36)43-29-22-42-31-25(29)15-18-41-31/h3,5-8,11-14,20,25-27,29,31,35H,2,4,9-10,15-19,21-22H2,1H3,(H,33,36)/b5-3+/t25-,26-,27+,29-,31+/m0/s1
定義日:2009-07-08
最終更新日:2011-06-04
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate
GRL
GRL
表記:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
組成式:C29 H40 N2 O7 S
SMILES:O=S(=O)(c1ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2)C3)Cc4ccccc4
InChi:InChI=1S/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1
定義日:2006-06-19
最終更新日:2011-06-04
識別子（ID）:(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]propyl}carbamate
IZZ
IZZ
表記:(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
組成式:C17 H21 N5 O
SMILES:n1cc(n2nc(ccc12)NC(C(C)C)CO)c3cccc(N)c3
InChi:InChI=1S/C17H21N5O/c1-11(2)14(10-23)20-16-6-7-17-19-9-15(22(17)21-16)12-4-3-5-13(18)8-12/h3-9,11,14,23H,10,18H2,1-2H3,(H,20,21)/t14-/m1/s1
定義日:2008-11-04
最終更新日:2011-06-04
識別子（ID）:(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
J1Z
J1Z
表記:thieno[3,2-b]thiophene
組成式:C6 H4 S2
SMILES:s1ccc2sccc12
InChi:InChI=1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H
定義日:2009-06-16
最終更新日:2011-06-04
識別子（ID）:thieno[3,2-b]thiophene
UCN
UCN
表記:7-HYDROXYSTAUROSPORINE
組成式:C28 H26 N4 O4
SMILES:O=C5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
定義日:2003-02-11
最終更新日:2011-06-04
識別子（ID）:(5S,6R,7R,9R,16R)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
427
427
表記:(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
組成式:C10 H14 B N3 O3
SMILES:OCC1OB(OC1)c2ccc(NC(=[N@H])N)cc2
InChi:InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1
定義日:2005-06-02
最終更新日:2011-06-04
識別子（ID）:1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}guanidine
428
428
表記:2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol
組成式:C9 H11 N3 O
SMILES:CC(C)c1cn2nc(O)ccc2n1
InChi:InChI=1S/C9H11N3O/c1-6(2)7-5-12-8(10-7)3-4-9(13)11-12/h3-6H,1-2H3,(H,11,13)
定義日:2010-01-06
最終更新日:2011-06-04
識別子（ID）:2-propan-2-ylimidazo[2,1-f]pyridazin-6-ol
4CB
4CB
表記:4-CARBOXYPHENYLBORONIC ACID
組成式:C7 H7 B O4
SMILES:O=C(O)c1ccc(B(O)O)cc1
InChi:InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
定義日:2001-11-20
最終更新日:2011-06-04
識別子（ID）:4-(dihydroxyboranyl)benzoic acid
1HP
1HP
表記:4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
組成式:C13 H12 N4 O
SMILES:n1cc(cc2c1nc(n2C)N)c3ccc(O)cc3
InChi:InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)
定義日:2007-08-15
最終更新日:2011-06-04
識別子（ID）:4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
FMB
FMB
表記:FORMYCIN B
組成式:C10 H12 N4 O5
SMILES:O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O
InChi:InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S)-1,4-anhydro-1-(7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol
FMI
FMI
表記:FE-(4-MESOPORPHYRINONE)-R-ISOMER
組成式:C34 H36 Fe N4 O5
SMILES:O=C(O)CCC=1C2=Cc4c(c(c3C=C8[N+]6=C(C=C7[N+]5=C(C=C(C=1C)N2[Fe]56n34)C(=C7C)CC)C(=O)C8(C)CC)C)CCC(=O)O
InChi:InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)24-14-29-33(43)34(6,8-2)30(38-29)16-25-19(5)22(10-12-32(41)42)28(37-25)15-27-21(9-11-31(39)40)18(4)23(36-27)13-26(20)35-24
定義日:2004-02-18
最終更新日:2011-06-04
識別子（ID）:{3,3'-[(7R)-7,13-diethyl-3,7,12,17-tetramethyl-8-oxo-7,8-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+)
1IT
1IT
表記:DIBENZOFURAN
組成式:C12 H8 O
SMILES:o2c1ccccc1c3c2cccc3
InChi:InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
定義日:2011-04-06
最終更新日:2011-06-04
識別子（ID）:dibenzo[b,d]furan
199
199
表記:N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
組成式:C24 H24 N6 O
SMILES:O=C(c1cccnc1)Nc3c2cc(cnc2nc3)c4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C24H24N6O/c1-29-9-11-30(12-10-29)20-6-4-17(5-7-20)19-13-21-22(16-27-23(21)26-15-19)28-24(31)18-3-2-8-25-14-18/h2-8,13-16H,9-12H2,1H3,(H,26,27)(H,28,31)
定義日:2005-07-01
最終更新日:2011-06-04
識別子（ID）:N-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine-3-carboxamide
19E
19E
表記:11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol
組成式:C16 H11 Cl N2 O
SMILES:Clc4ncc(c3c4c1c(ccc2cc(O)ccc12)n3)C
InChi:InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)14-13-11-4-3-10(20)6-9(11)2-5-12(13)19-15(8)14/h2-7,19-20H,1H3
定義日:2010-09-21
最終更新日:2011-06-04
識別子（ID）:11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol
ABH
ABH
表記:2(S)-AMINO-6-BORONOHEXANOIC ACID
組成式:C6 H15 B N O5
SMILES:O=C(O)C(N)CCCC[B-](O)(O)O
InChi:InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1
定義日:1999-10-07
最終更新日:2011-06-04
識別子（ID）:[(5S)-5-amino-5-carboxypentyl](trihydroxy)borate(1-)
1DA
1DA
表記:1-DEAZA-ADENOSINE
組成式:C11 H14 N4 O4
SMILES:n2c1c(N)ccnc1n(c2)C3OC(C(O)C3O)CO
InChi:InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
定義日:1999-10-08
最終更新日:2011-06-04
識別子（ID）:3-beta-D-ribofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine
ACW
ACW
表記:D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE
組成式:C15 H25 N3 O6 S
SMILES:O=C(NC(C(=O)O)C1(C)CC1)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:InChI=1S/C15H25N3O6S/c1-15(5-6-15)11(14(23)24)18-12(20)9(7-25)17-10(19)4-2-3-8(16)13(21)22/h8-9,11,25H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,11-/m0/s1
定義日:2006-06-13
最終更新日:2011-06-04
識別子（ID）:N~6~-[(1R)-2-{[(R)-carboxy(1-methylcyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine
1EL
1EL
表記:9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
組成式:C17 H14 N2 O2
SMILES:O=C1N=CCc2c1c(c4c(c2C)nc3ccc(O)cc34)C
InChi:InChI=1S/C17H14N2O2/c1-8-11-5-6-18-17(21)15(11)9(2)14-12-7-10(20)3-4-13(12)19-16(8)14/h3-4,6-7,19-20H,5H2,1-2H3
定義日:2010-09-21
最終更新日:2011-06-04
識別子（ID）:9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
1FN
1FN
表記:1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
組成式:C25 H16 F2 N4 O3
SMILES:Fc1ccc(cc1)N2C=CC=C(C2=O)C(=O)Nc5ccc(Oc3ccnc4c3ccn4)c(F)c5
InChi:InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
定義日:2008-03-03
最終更新日:2011-06-04
識別子（ID）:1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
982
982
表記:3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID
組成式:C10 H7 N O5 S
SMILES:O=C(O)COc1c2cccnc2sc1C(=O)O
InChi:InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
定義日:2005-09-30
最終更新日:2011-06-04
識別子（ID）:3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID
CID
表記:6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME
組成式:C19 H12 Cl3 N3 O S
SMILES:Clc1ccc(cc1Cl)CON=Cc3n4ccsc4nc3c2ccc(Cl)cc2
InChi:InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
定義日:2004-11-17
最終更新日:2011-06-04
識別子（ID）:6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
CL3
CL3
表記:N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE
組成式:C20 H17 N5 O
SMILES:O=C(N(c4cccc(c2nnc1ccc(nn12)c3ccccc3)c4)C)C
InChi:InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3
定義日:2004-12-06
最終更新日:2011-06-04
識別子（ID）:N-methyl-N-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
CLB
CLB
表記:D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE
組成式:C13 H19 B Cl N2 O6
SMILES:Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N
InChi:InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon