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
BL5
BL5
表記:2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE
組成式:C38 H62 N8 O4
SMILES:O=C(Nc1ccccc1)C(NC(=O)C(CCCC)CNNCC(C(=O)NC(C(=O)Nc2ccccc2)CCCCN)CCCC)CCCCN
InChi:InChI=1S/C38H62N8O4/c1-3-5-17-29(35(47)45-33(23-13-15-25-39)37(49)43-31-19-9-7-10-20-31)27-41-42-28-30(18-6-4-2)36(48)46-34(24-14-16-26-40)38(50)44-32-21-11-8-12-22-32/h7-12,19-22,29-30,33-34,41-42H,3-6,13-18,23-28,39-40H2,1-2H3,(H,43,49)(H,44,50)(H,45,47)(H,46,48)/t29-,30-,33-,34-/m0/s1
定義日:2003-12-02
最終更新日:2011-06-04
識別子（ID）:(2S,2'S)-2,2'-(hydrazine-1,2-diylbis{methanediyl[(2S)-1-oxohexane-2,1-diyl]imino})bis(6-amino-N-phenylhexanamide) (non-preferred name)
BLI
BLI
表記:4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE
組成式:C22 H32 N6 O5 S
SMILES:O=S(=O)(N3CC(=O)N2C(C(=O)NCC1CCN(C(=NO)/N)CC1)CCC2C3)Cc4ccccc4
InChi:InChI=1S/C22H32N6O5S/c23-22(25-31)26-10-8-16(9-11-26)12-24-21(30)19-7-6-18-13-27(14-20(29)28(18)19)34(32,33)15-17-4-2-1-3-5-17/h1-5,16,18-19,31H,6-15H2,(H2,23,25)(H,24,30)/t18-,19-/m0/s1
定義日:2001-11-08
最終更新日:2011-06-04
識別子（ID）:(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide
BLL
BLL
表記:(2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE
組成式:C40 H44 N2 O6
SMILES:O=C(NC2c1ccccc1CC2O)C(CCc3ccccc3)C(O)C(O)C(C(=O)NC5c4ccccc4CC5O)CCc6ccccc6
InChi:InChI=1S/C40H44N2O6/c43-33-23-27-15-7-9-17-29(27)35(33)41-39(47)31(21-19-25-11-3-1-4-12-25)37(45)38(46)32(22-20-26-13-5-2-6-14-26)40(48)42-36-30-18-10-8-16-28(30)24-34(36)44/h1-18,31-38,43-46H,19-24H2,(H,41,47)(H,42,48)/t31-,32-,33-,34-,35+,36+,37-,38-/m1/s1
定義日:2004-11-02
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide (non-preferred name)
BLS
BLS
表記:BLASTICIDIN S
組成式:C17 H26 N8 O5
SMILES:O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C
InChi:InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1
定義日:2001-11-09
最終更新日:2011-06-04
識別子（ID）:4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]pyrimidin-2(1H)-one
BMC
BMC
表記:3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
組成式:C12 H10 N2 O4
SMILES:O=C(O)c1cc(nn1C)c2ccc3OCOc3c2
InChi:InChI=1S/C12H10N2O4/c1-14-9(12(15)16)5-8(13-14)7-2-3-10-11(4-7)18-6-17-10/h2-5H,6H2,1H3,(H,15,16)
定義日:2010-09-29
最終更新日:2011-06-04
識別子（ID）:3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
BML
BML
表記:4-BROMOPHENOL
組成式:C6 H5 Br O
SMILES:Brc1ccc(O)cc1
InChi:InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
定義日:2004-04-29
最終更新日:2011-06-04
識別子（ID）:4-bromophenol
BMP
BMP
表記:6-HYDROXYURIDINE-5'-PHOSPHATE
組成式:C9 H13 N2 O10 P
SMILES:O=C1NC(=O)N(C(O)=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
定義日:2000-01-14
最終更新日:2011-06-04
識別子（ID）:6-hydroxyuridine 5'-(dihydrogen phosphate)
BMW
BMW
表記:3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
組成式:C23 H22 N6 O2
SMILES:n1c4c(c(nc1N2CCOCC2)c3cccc(O)c3)CCN4c6ccc5ncnc5c6
InChi:InChI=1S/C23H22N6O2/c30-17-3-1-2-15(12-17)21-18-6-7-29(16-4-5-19-20(13-16)25-14-24-19)22(18)27-23(26-21)28-8-10-31-11-9-28/h1-5,12-14,30H,6-11H2,(H,24,25)
定義日:2010-10-29
最終更新日:2011-06-04
識別子（ID）:3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
BMZ
BMZ
表記:2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
組成式:C14 H13 N4 O
SMILES:Oc3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
定義日:2001-01-25
最終更新日:2011-06-04
識別子（ID）:amino[2-(2-hydroxyphenyl)-1H-benzimidazol-5-yl]methaniminium
BNA
BNA
表記:BIS-(NAPHTHYL-1-METHYL) ACETIC ACID
組成式:C24 H20 O2
SMILES:O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3ccccc34
InChi:InChI=1S/C24H20O2/c25-24(26)21(15-19-11-5-9-17-7-1-3-13-22(17)19)16-20-12-6-10-18-8-2-4-14-23(18)20/h1-14,21H,15-16H2,(H,25,26)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoic acid
BNF
BNF
表記:N-BENZYLFORMAMIDE
組成式:C8 H9 N O
SMILES:O=CNCc1ccccc1
InChi:InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
定義日:2004-07-25
最終更新日:2011-06-04
識別子（ID）:N-benzylformamide
BNL
BNL
表記:BIPHENYL
組成式:C12 H10
SMILES:c1cc(ccc1)c2ccccc2
InChi:InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
定義日:2003-09-15
最終更新日:2011-06-04
識別子（ID）:biphenyl
BNP
BNP
表記:(3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE
組成式:C32 H35 N O3
SMILES:O(Cc2cc1ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)CCNC5
InChi:InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1
定義日:2003-07-11
最終更新日:2011-06-04
識別子（ID）:(3R,4R)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(naphthalen-2-ylmethoxy)piperidine
BNS
BNS
表記:benzenesulfonic acid
組成式:C6 H6 O3 S
SMILES:O=S(=O)(O)c1ccccc1
InChi:InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzenesulfonic acid
BNZ
BNZ
表記:BENZENE
組成式:C6 H6
SMILES:c1ccccc1
InChi:InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzene
BOE
BOE
表記:2'-O-[2-(BENZYLOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE
組成式:C19 H25 N2 O10 P
SMILES:O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCOCc2ccccc2)COP(=O)(O)O
InChi:InChI=1S/C19H25N2O10P/c1-12-9-21(19(24)20-17(12)23)18-16(15(22)14(31-18)11-30-32(25,26)27)29-8-7-28-10-13-5-3-2-4-6-13/h2-6,9,14-16,18,22H,7-8,10-11H2,1H3,(H,20,23,24)(H2,25,26,27)/t14-,15-,16-,18-/m1/s1
定義日:2004-12-21
最終更新日:2011-06-04
識別子（ID）:2'-O-[2-(benzyloxy)ethyl]-5-methyluridine 5'-(dihydrogen phosphate)
BOL
BOL
表記:2-iodo-N-phenylbenzamide
組成式:C13 H10 I N O
SMILES:Ic1ccccc1C(=O)Nc2ccccc2
InChi:InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
定義日:2010-02-23
最終更新日:2011-06-04
識別子（ID）:2-iodo-N-phenyl-benzamide
BOS
BOS
表記:N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE
組成式:C13 H12 N2 O3 S2
SMILES:O=C(c1ccccc1S)Nc2ccc(cc2)S(=O)(=O)N
InChi:InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
定義日:2006-06-23
最終更新日:2011-06-04
識別子（ID）:N-(4-sulfamoylphenyl)-2-sulfanylbenzamide
BP3
BP3
表記:2'-CHLORO-BIPHENYL-2,3-DIOL
組成式:C12 H9 Cl O2
SMILES:Clc2ccccc2c1c(O)c(O)ccc1
InChi:InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H
定義日:2002-05-01
最終更新日:2011-06-04
識別子（ID）:2'-chlorobiphenyl-2,3-diol
BP6
BP6
表記:2',6'-DICHLORO-BIPHENYL-2,6-DIOL
組成式:C12 H8 Cl2 O2
SMILES:Clc2cccc(Cl)c2c1c(O)c(O)ccc1
InChi:InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H
定義日:2002-05-01
最終更新日:2011-06-04
識別子（ID）:2',6'-dichlorobiphenyl-2,3-diol
BPA
BPA
表記:7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
組成式:C20 H16 O3
SMILES:OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O
InChi:InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19+,20+/m1/s1
定義日:2001-06-18
最終更新日:2011-06-04
識別子（ID）:(7S,8S,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol
BPD
BPD
表記:N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
組成式:C21 H12 F3 N O5
SMILES:FC(F)(F)c4cc(N1c3c(Oc2c1cccc2C(=O)O)c(ccc3)C(=O)O)ccc4
InChi:InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29)
定義日:2000-01-28
最終更新日:2011-06-04
識別子（ID）:10-[3-(trifluoromethyl)phenyl]-10H-phenoxazine-4,6-dicarboxylic acid
BPG
BPG
表記:9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
組成式:C15 H17 N5 O2
SMILES:O=C1c3ncn(c3N=C(N1)Nc2ccccc2)CCCCO
InChi:InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:9-(4-hydroxybutyl)-2-(phenylamino)-1,9-dihydro-6H-purin-6-one
BPN
BPN
表記:PARANITROBENZYL ALCOHOL
組成式:C7 H7 N O3
SMILES:[O-][N+](=O)c1ccc(cc1)CO
InChi:InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(4-nitrophenyl)methanol
BPO
BPO
表記:3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE
組成式:C28 H28 N4 O3
SMILES:O=C(N2CCC(C(=O)c1ccccc1)CC2)C(c3ccccc3)NC(=O)c4cccc(C(=[N@H])N)c4
InChi:InChI=1S/C28H28N4O3/c29-26(30)22-12-7-13-23(18-22)27(34)31-24(19-8-3-1-4-9-19)28(35)32-16-14-21(15-17-32)25(33)20-10-5-2-6-11-20/h1-13,18,21,24H,14-17H2,(H3,29,30)(H,31,34)/t24-/m1/s1
定義日:2001-07-18
最終更新日:2011-06-04
識別子（ID）:3-carbamimidoyl-N-{(1R)-2-oxo-1-phenyl-2-[4-(phenylcarbonyl)piperidin-1-yl]ethyl}benzamide

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon