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
3PL
3PL
表記:3-PHENYLPROPANAL
組成式:C9 H10 O
SMILES:O=CCCc1ccccc1
InChi:InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
定義日:2005-01-14
最終更新日:2011-06-04
識別子（ID）:3-phenylpropanal
LP1
LP1
表記:4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
組成式:C45 H58 N6 O7
SMILES:O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c3ccccc3ccc4
InChi:InChI=1S/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35-,36-,37-,38-,39-,41-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(4S,7S,10S,11S,15S,18S)-15-ethyl-11-hydroxy-7-(1-methylethyl)-10-(2-methylpropyl)-4,18-bis(naphthalen-1-ylmethyl)-2,5,8,13,16-pentaoxo-3,6,9,14,17-pentaazanonadecan-19-amide (non-preferred name)
3PY
3PY
表記:3-HYDROXYPYRUVIC ACID
組成式:C3 H4 O4
SMILES:O=C(O)C(=O)CO
InChi:InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-hydroxy-2-oxopropanoic acid
LRG
LRG
表記:(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
組成式:C21 H18 O3
SMILES:O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3
InChi:InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
定義日:2007-10-24
最終更新日:2011-06-04
識別子（ID）:(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
3SZ
3SZ
表記:3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
組成式:C19 H23 N3 O6 S2
SMILES:O=S(=O)(c1cc(N)ccc1)N2CCCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
InChi:InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2
定義日:2010-04-19
最終更新日:2011-06-04
識別子（ID）:3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
LSW
LSW
表記:N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan
組成式:C27 H34 N4 O5
SMILES:NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O
InChi:InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1
定義日:2010-02-23
最終更新日:2011-06-04
識別子（ID）:(2S)-2-[[(2S)-6-azanyl-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-4-phenyl-butanoic acid
LT6
LT6
表記:2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
組成式:C23 H29 F N2 O4
SMILES:CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO)Cc2ccccc2
InChi:InChI=1S/C23H29FN2O4/c1-3-4-13-26(2)23(29)22-19(24)11-8-12-20(22)30-16-21(28)25-18(15-27)14-17-9-6-5-7-10-17/h5-12,18,27H,3-4,13-16H2,1-2H3,(H,25,28)/t18-/m0/s1
定義日:2010-02-03
最終更新日:2011-06-04
識別子（ID）:N-butyl-2-fluoro-6-[2-[[(2S)-1-hydroxy-3-phenyl-propan-2-yl]amino]-2-oxo-ethoxy]-N-methyl-benzamide
I38
I38
表記:N-(3-MERCAPTOPROPANOYL)-D-ALANINE
組成式:C6 H11 N O3 S
SMILES:O=C(NC(C(=O)O)C)CCS
InChi:InChI=1S/C6H11NO3S/c1-4(6(9)10)7-5(8)2-3-11/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
定義日:2007-06-22
最終更新日:2011-06-04
識別子（ID）:N-(3-sulfanylpropanoyl)-D-alanine
3UN
3UN
表記:(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID
組成式:C21 H32 N2 O9 S
SMILES:O=S(=O)(O)Nc1ccc(cc1)CC(C(=O)OCC)(C(=O)OCC)CCNC(=O)OC(C)(C)C
InChi:InChI=1S/C21H32N2O9S/c1-6-30-17(24)21(18(25)31-7-2,12-13-22-19(26)32-20(3,4)5)14-15-8-10-16(11-9-15)23-33(27,28)29/h8-11,23H,6-7,12-14H2,1-5H3,(H,22,26)(H,27,28,29)
定義日:2006-05-17
最終更新日:2011-06-04
識別子（ID）:(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid
3YP
3YP
表記:3-CYCLOPENTYL-N-HYDROXYPROPANAMIDE
組成式:C8 H15 N O2
SMILES:O=C(NO)CCC1CCCC1
InChi:InChI=1S/C8H15NO2/c10-8(9-11)6-5-7-3-1-2-4-7/h7,11H,1-6H2,(H,9,10)
定義日:2005-06-24
最終更新日:2011-06-04
識別子（ID）:3-cyclopentyl-N-hydroxypropanamide
I96
I96
表記:N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE
組成式:C16 H18 N4 S2
SMILES:n3c(SCc1sccc1)nc(Nc2ccccc2C(C)C)n3
InChi:InChI=1S/C16H18N4S2/c1-11(2)13-7-3-4-8-14(13)17-15-18-16(20-19-15)22-10-12-6-5-9-21-12/h3-9,11H,10H2,1-2H3,(H2,17,18,19,20)
定義日:2007-01-12
最終更新日:2011-06-04
識別子（ID）:N-[2-(1-methylethyl)phenyl]-3-[(thiophen-2-ylmethyl)sulfanyl]-1H-1,2,4-triazol-5-amine
404
404
表記:(2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol
組成式:C19 H26 N6 O
SMILES:n1c(c2c(nc1NC(CC)CO)c(nn2)C(C)C)NCc3ccccc3
InChi:InChI=1S/C19H26N6O/c1-4-14(11-26)21-19-22-16-15(12(2)3)24-25-17(16)18(23-19)20-10-13-8-6-5-7-9-13/h5-9,12,14,26H,4,10-11H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t14-/m1/s1
定義日:2010-11-10
最終更新日:2011-06-04
識別子（ID）:(2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol
419
419
表記:N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide
組成式:C31 H42 N4 O3
SMILES:O=C(NC(C(=O)N4C3C(NC(=O)C(c1ccccc1)c2ccccc2)CCC3CC4)C(C)(C)C)C(NC)C
InChi:InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1
定義日:2008-11-12
最終更新日:2011-06-04
識別子（ID）:N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide
IBG
IBG
表記:GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE
組成式:C17 H22 I N3 O6 S
SMILES:Ic1ccccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
InChi:InChI=1S/C17H22IN3O6S/c18-11-4-2-1-3-10(11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
定義日:2002-08-06
最終更新日:2011-06-04
識別子（ID）:L-gamma-glutamyl-S-(2-iodobenzyl)-L-cysteinylglycine
IBO
IBO
表記:2-METHYLPROPANAMIDE
組成式:C4 H9 N O
SMILES:O=C(N)C(C)C
InChi:InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
定義日:2007-02-22
最終更新日:2011-06-04
識別子（ID）:2-methylpropanamide
ICC
ICC
表記:azepan-2-one
組成式:C6 H11 N O
SMILES:O=C1NCCCCC1
InChi:InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
定義日:2008-07-29
最終更新日:2011-06-04
識別子（ID）:azepan-2-one
ICT
ICT
表記:ISOCITRIC ACID
組成式:C6 H8 O7
SMILES:O=C(O)C(CC(=O)O)C(O)C(=O)O
InChi:InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-carboxy-2,3-dideoxy-L-threo-pentaric acid
IFA
IFA
表記:METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE
組成式:C17 H14 F2 I N O4
SMILES:Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)OC)c2O
InChi:InChI=1S/C17H14F2INO4/c1-25-15(22)4-5-21-17(24)12-6-9(7-14(20)16(12)23)11-3-2-10(18)8-13(11)19/h2-3,6-8,23H,4-5H2,1H3,(H,21,24)
定義日:2007-05-09
最終更新日:2011-06-04
識別子（ID）:methyl N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate
IFB
IFB
表記:N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE
組成式:C16 H12 F2 I N O4
SMILES:Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)O)c2O
InChi:InChI=1S/C16H12F2INO4/c17-9-1-2-10(12(18)7-9)8-5-11(15(23)13(19)6-8)16(24)20-4-3-14(21)22/h1-2,5-7,23H,3-4H2,(H,20,24)(H,21,22)
定義日:2007-05-09
最終更新日:2011-06-04
識別子（ID）:N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine
IHG
IHG
表記:N-ISOPROPYL-N'-HYDROXYGUANIDINE
組成式:C4 H11 N3 O
SMILES:[N@H]=C(NC(C)C)NO
InChi:InChI=1S/C4H11N3O/c1-3(2)6-4(5)7-8/h3,8H,1-2H3,(H3,5,6,7)
定義日:2002-06-25
最終更新日:2011-06-04
識別子（ID）:1-hydroxy-3-(1-methylethyl)guanidine
IIA
IIA
表記:1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE
組成式:C25 H27 Cl N4 O2 S
SMILES:Clc5sc(c1onc(c1)Cn4c2ccccc2cc4C(=O)NC3CCN(C(C)C)CC3)cc5
InChi:InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31)
定義日:2005-04-11
最終更新日:2011-06-04
識別子（ID）:1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide
IIE
IIE
表記:1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE
組成式:C25 H29 Cl N4 O2
SMILES:Clc1ccc(cc1)NC(=O)Cn2c4ccccc4cc2C(=O)NC3CCN(C(C)C)CC3
InChi:InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)
定義日:2005-04-28
最終更新日:2011-06-04
識別子（ID）:1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide
IIG
IIG
表記:N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
組成式:C22 H28 F3 N O3
SMILES:FC(F)(F)C(O)(c1ccc(cc1)C(=O)N(C3CCC(O)(C2CC2)CC3)C4CC4)C
InChi:InChI=1S/C22H28F3NO3/c1-20(28,22(23,24)25)15-4-2-14(3-5-15)19(27)26(17-8-9-17)18-10-12-21(29,13-11-18)16-6-7-16/h2-5,16-18,28-29H,6-13H2,1H3/t18-,20-,21+/m0/s1
定義日:2008-12-10
最終更新日:2011-06-04
識別子（ID）:N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
IIP
IIP
表記:IMIDAZOLE-PYRROLE POLYAMIDE
組成式:C30 H41 N12 O5
SMILES:O=C(c2nc(NC(=O)c1nccn1C)cn2C)Nc4cc(C(=O)Nc3cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c3)C)n(c4)C
InChi:InChI=1S/C30H40N12O5/c1-38(2)12-7-9-31-24(43)8-10-33-27(44)21-14-19(16-40(21)4)34-28(45)22-15-20(17-41(22)5)35-30(47)26-36-23(18-42(26)6)37-29(46)25-32-11-13-39(25)3/h11,13-18H,7-10,12H2,1-6H3,(H,31,43)(H,33,44)(H,34,45)(H,35,47)(H,37,46)/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium
L1A
L1A
表記:N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE
組成式:C33 H50 N6 O7 S2
SMILES:O=S(=O)(N1CCOCC1)NC(C(=O)NC(C(=O)NC(CC2CC=CCC2)C(O)C(O)CC(C)C)Cc3nc(sc3)N)Cc4ccccc4
InChi:InChI=1S/C33H50N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h3-5,7-8,11-12,21-23,26-30,38,40-41H,6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t23-,26+,27-,28-,29-,30+/m0/s1
定義日:2006-02-27
最終更新日:2011-06-04
識別子（ID）:N-(morpholin-4-ylsulfonyl)-L-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-N-{(1R,2R,3S)-1-[(1R)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-L-alaninamide

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon