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
LUV
LUV
表記:(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
組成式:C31 H34 N4 O3 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCCNC(=O)c5c(c3ccccc3)cccc5c4ccccc4
InChi:InChI=1S/C31H34N4O3S/c36-27(17-8-7-16-26-29-25(20-39-26)34-31(38)35-29)32-18-19-33-30(37)28-23(21-10-3-1-4-11-21)14-9-15-24(28)22-12-5-2-6-13-22/h1-6,9-15,25-26,29H,7-8,16-20H2,(H,32,36)(H,33,37)(H2,34,35,38)/t25-,26-,29-/m0/s1
定義日:2014-02-06
最終更新日:2014-08-01
公開日:2014-08-06
識別子（ID）:N-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-1,1':3',1''-terphenyl-2'-carboxamide
25O
25O
表記:5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
組成式:C12 H11 N5
SMILES:n2c(cc(c1ccccc1)n3nc(nc23)N)C
InChi:InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16)
定義日:2013-08-28
最終更新日:2013-09-20
公開日:2013-09-25
識別子（ID）:5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
1Y0
1Y0
表記:(4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide
組成式:C30 H43 N5 O4
SMILES:O=C(NC(C(=O)N3CC2N(C1CC1C2)CC3C(=O)NC4c5c(OCC4)cccc5)C6CCCCC6)C(NC)C
InChi:InChI=1S/C30H43N5O4/c1-18(31-2)28(36)33-27(19-8-4-3-5-9-19)30(38)35-16-21-14-20-15-24(20)34(21)17-25(35)29(37)32-23-12-13-39-26-11-7-6-10-22(23)26/h6-7,10-11,18-21,23-25,27,31H,3-5,8-9,12-17H2,1-2H3,(H,32,37)(H,33,36)/t18-,20+,21+,23+,24-,25-,27-/m0/s1
定義日:2013-07-30
最終更新日:2013-08-23
公開日:2013-08-28
識別子（ID）:(1aS,4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide
1G5
1G5
表記:HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form
組成式:C28 H40 N4 O7 S
SMILES:O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)c1cccc(O)c1C)C(C)C)CO)Cc2ccc(cc2)CN
InChi:InChI=1S/C28H40N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-11,17,21,23,25,33-34H,12-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t21-,23+,25+/m1/s1
定義日:2013-01-22
最終更新日:2013-01-25
公開日:2013-01-25
識別子（ID）:N-(3-hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-yl]-L-serinamide
HQE
HQE
表記:benzene-1,4-diol
組成式:C6 H6 O2
SMILES:Oc1ccc(O)cc1
InChi:InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
定義日:2012-03-14
最終更新日:2012-06-22
識別子（ID）:benzene-1,4-diol
9DR
9DR
表記:6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
組成式:C21 H21 N5 O
SMILES:n3c(c(C#CCc2cc(c1ccncc1)cc(OC)c2)c(nc3N)N)CC
InChi:InChI=1S/C21H21N5O/c1-3-19-18(20(22)26-21(23)25-19)6-4-5-14-11-16(13-17(12-14)27-2)15-7-9-24-10-8-15/h7-13H,3,5H2,1-2H3,(H4,22,23,25,26)
定義日:2011-06-08
最終更新日:2012-06-08
識別子（ID）:6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
LEE
LEE
表記:L-gamma-glutamyl-S-hexyl-L-cysteinylglycine
組成式:C16 H29 N3 O6 S
SMILES:O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C(=O)O)N
InChi:InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1
定義日:2009-02-05
最終更新日:2011-07-13
識別子（ID）:L-gamma-glutamyl-S-hexyl-L-cysteinylglycine
DEU
DEU
表記:CO(III)-(DEUTEROPORPHYRIN IX)
組成式:C30 H28 Co N4 O4
SMILES:O=C(O)CCC1=C(c4[n+]3C1=Cc8c(c(c7cc2C(=CC6=[n+]2[Co+3]3(n5c(c4)C=C(C5=C6)C)n78)C)C)CCC(=O)O)C
InChi:InChI=1S/C30H30N4O4.Co/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20
定義日:2002-02-26
最終更新日:2011-06-07
識別子（ID）:[3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]cobalt(5+)
PMA
PMA
表記:PYROMELLITIC ACID
組成式:C10 H6 O8
SMILES:O=C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O
InChi:InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzene-1,2,4,5-tetracarboxylic acid
SK4
SK4
表記:4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
組成式:C18 H17 N3 O4 S
SMILES:O=S(=O)(c1ccc2ncc(c(c2c1)Nc3cccc(OC)c3)C(=O)N)C
InChi:InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
定義日:2009-01-16
最終更新日:2011-06-04
識別子（ID）:4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
DFB
DFB
表記:2,3-DIFLUOROBENZYL ALCOHOL
組成式:C7 H6 F2 O
SMILES:Fc1c(cccc1F)CO
InChi:InChI=1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2
定義日:2002-08-16
最終更新日:2011-06-04
識別子（ID）:(2,3-difluorophenyl)methanol
TFS
TFS
表記:trifluoromethanesulfonic acid
組成式:C H F3 O3 S
SMILES:FC(F)(F)S(=O)(=O)O
InChi:InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
定義日:2007-11-19
最終更新日:2011-06-04
識別子（ID）:trifluoromethanesulfonic acid
PER
PER
表記:PEROXIDE ION
組成式:O2
SMILES:[O-][O-]
InChi:InChI=1S/O2/c1-2/q-2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:dioxidanediide
PFB
PFB
表記:2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
組成式:C7 H3 F5 O
SMILES:Fc1c(c(F)c(F)c(F)c1F)CO
InChi:InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(pentafluorophenyl)methanol
SPO
SPO
表記:SPHEROIDENE
組成式:C41 H60 O
SMILES:O(C(CC=CC(=CC=CC(=CC=CC(=C/C=C/C=C(/C=C/C=C(C)CCC=C(/C)CCC=C(/C)C)C)C)C)C)(C)C)C
InChi:InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3E,13cis)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene
DMF
DMF
表記:DIMETHYLFORMAMIDE
組成式:C3 H7 N O
SMILES:O=CN(C)C
InChi:InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N,N-dimethylformamide
FP2
FP2
表記:2-fluorophenol
組成式:C6 H5 F O
SMILES:Fc1ccccc1O
InChi:InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
定義日:2008-04-01
最終更新日:2011-06-04
識別子（ID）:2-fluorophenol
GTX
GTX
表記:S-HEXYLGLUTATHIONE
組成式:C16 H30 N3 O6 S
SMILES:O=C(O)CNC(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC
InChi:InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p+1/t11-,12-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-hexyl-L-cysteinylglycine
211
211
表記:2,2',2''-NITRILOTRIETHANOL
組成式:C6 H15 N O3
SMILES:OCCN(CCO)CCO
InChi:InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
定義日:2006-07-14
最終更新日:2011-06-04
識別子（ID）:2,2',2''-nitrilotriethanol
153
153
表記:(2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID
組成式:C24 H18 Cl2 F3 N O3
SMILES:O=C(c1ccc(Cl)cc1Cl)N(C(C(=O)O)Cc2ccccc2)Cc3cccc(c3)C(F)(F)F
InChi:InChI=1S/C24H18Cl2F3NO3/c25-18-9-10-19(20(26)13-18)22(31)30(14-16-7-4-8-17(11-16)24(27,28)29)21(23(32)33)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,32,33)/t21-/m0/s1
定義日:2003-01-06
最終更新日:2011-06-04
識別子（ID）:N-[(2,4-dichlorophenyl)carbonyl]-N-[3-(trifluoromethyl)benzyl]-L-phenylalanine
IOB
IOB
表記:3-IODO-BENZYL ALCOHOL
組成式:C7 H7 I O
SMILES:Ic1cc(ccc1)CO
InChi:InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3-iodophenyl)methanol
IPH
IPH
表記:PHENOL
組成式:C6 H6 O
SMILES:Oc1ccccc1
InChi:InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:phenol
NC1
NC1
表記:NITROCEFIN ACYL-SERINE
組成式:C24 H21 N5 O11 S2
SMILES:[O-]C(=O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C([O-])=O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O
InChi:InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1
定義日:2002-10-08
最終更新日:2011-06-04
識別子（ID）:(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate
NPY
NPY
表記:NAPHTHALENE
組成式:C10 H8
SMILES:c12ccccc1cccc2
InChi:InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:naphthalene
252
252
表記:(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
組成式:C9 H22 O7 P2
SMILES:O=P(O)(O)C(O)(CCCCCCCC)P(=O)(O)O
InChi:InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
定義日:2007-06-28
最終更新日:2011-06-04
識別子（ID）:(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)

221716

件を2024-06-26に公開中

PDB statisticsPDBj update infoContact PDBjnumon