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
NSX
NSX
表記:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
組成式:C57 H64 N8 O6
SMILES:O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccc(O)cc4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6
InChi:InChI=1S/C57H64N8O6/c58-57(59)62-35-12-20-50(56(71)65-51(37-41-25-31-48(66)32-26-41)54(69)61-36-33-40-13-4-1-5-14-40)64-55(70)49(63-53(68)39-43-23-29-47(30-24-43)45-17-8-3-9-18-45)19-10-11-34-60-52(67)38-42-21-27-46(28-22-42)44-15-6-2-7-16-44/h1-9,13-18,21-32,49-51,66H,10-12,19-20,33-39H2,(H,60,67)(H,61,69)(H,63,68)(H,64,70)(H,65,71)(H4,58,59,62)/t49-,50+,51-/m0/s1
定義日:2009-07-22
最終更新日:2011-06-04
識別子（ID）:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
NSY
NSY
表記:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
組成式:C57 H64 N8 O5
SMILES:O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccccc4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6
InChi:InChI=1S/C57H64N8O5/c58-57(59)62-36-15-25-50(56(70)65-51(38-42-18-7-2-8-19-42)54(68)61-37-34-41-16-5-1-6-17-41)64-55(69)49(63-53(67)40-44-28-32-48(33-29-44)46-22-11-4-12-23-46)24-13-14-35-60-52(66)39-43-26-30-47(31-27-43)45-20-9-3-10-21-45/h1-12,16-23,26-33,49-51H,13-15,24-25,34-40H2,(H,60,66)(H,61,68)(H,63,67)(H,64,69)(H,65,70)(H4,58,59,62)/t49-,50+,51-/m0/s1
定義日:2009-07-30
最終更新日:2011-06-04
識別子（ID）:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
NSZ
NSZ
表記:N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
組成式:C41 H49 N7 O4 S
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N)CSC)Cc4ccc(c3ccccc3)cc4
InChi:InChI=1S/C41H49N7O4S/c1-53-28-36(46-37(49)27-31-19-21-33(22-20-31)32-16-9-4-10-17-32)40(52)47-34(18-11-24-45-41(42)43)39(51)48-35(26-30-14-7-3-8-15-30)38(50)44-25-23-29-12-5-2-6-13-29/h2-10,12-17,19-22,34-36H,11,18,23-28H2,1H3,(H,44,50)(H,46,49)(H,47,52)(H,48,51)(H4,42,43,45)/t34-,35+,36+/m1/s1
定義日:2009-07-22
最終更新日:2011-06-04
識別子（ID）:N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
NTB
NTB
表記:TERTIARY-BUTYLAMINE
組成式:C4 H11 N
SMILES:NC(C)(C)C
InChi:InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-methylpropan-2-amine
750
750
表記:5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE
組成式:C40 H47 N5 O7
SMILES:O=C3CN(C(=O)Cc2cccc(c1ncccc1)c2)CCCC3NC(=O)C(NC(=O)c6oc5c(cc(OCCN4CCOCC4)cc5)c6)CC(C)C
InChi:InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1
定義日:2003-01-07
最終更新日:2011-06-04
識別子（ID）:N-[(1S)-3-methyl-1-({(4S)-3-oxo-1-[(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl}carbamoyl)butyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide
NU5
NU5
表記:3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL
組成式:C23 H32 N6 O4 S
SMILES:O=S(=O)(c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4)CCNCCCO
InChi:InChI=1S/C23H32N6O4S/c30-13-4-11-24-12-14-34(31,32)19-9-7-18(8-10-19)27-23-28-21-20(25-16-26-21)22(29-23)33-15-17-5-2-1-3-6-17/h7-10,16-17,24,30H,1-6,11-15H2,(H2,25,26,27,28,29)
定義日:2006-03-10
最終更新日:2011-06-04
識別子（ID）:3-({2-[(4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol
OAA
OAA
表記:OXALOACETATE ION
組成式:C4 H3 O5
SMILES:[O-]C(=O)CC(=O)C(=O)O
InChi:InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-carboxy-3-oxopropanoate
OAC
OAC
表記:TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE
組成式:C10 H12 O3
SMILES:O=C(O)C(Cc1ccccc1O)C
InChi:InChI=1S/C10H12O3/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
定義日:2001-01-26
最終更新日:2011-06-04
識別子（ID）:(2R)-3-(2-hydroxyphenyl)-2-methylpropanoic acid
OAW
OAW
表記:2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one
組成式:C13 H15 N7 O
SMILES:O=C2C(=Nc1c(nc(nc1C)N)N2C(C)C)c3cnnc3
InChi:InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)17-13(14)19-11)18-10(12(20)21)8-4-15-16-5-8/h4-6H,1-3H3,(H,15,16)(H2,14,17,19)
定義日:2010-08-11
最終更新日:2011-06-04
識別子（ID）:2-amino-4-methyl-8-(propan-2-yl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one
77A
77A
表記:1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA
組成式:C17 H22 Cl N5 O3
SMILES:Clc1cc(c(OC)cc1)NC(=O)Nc2nc(OC(CN(C)C)C)cnc2
InChi:InChI=1S/C17H22ClN5O3/c1-11(10-23(2)3)26-16-9-19-8-15(21-16)22-17(24)20-13-7-12(18)5-6-14(13)25-4/h5-9,11H,10H2,1-4H3,(H2,20,21,22,24)/t11-/m0/s1
定義日:2007-01-31
最終更新日:2011-06-04
識別子（ID）:1-(5-chloro-2-methoxyphenyl)-3-{6-[(1S)-2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea
784
784
表記:[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM
組成式:C22 H32 N5 O2
SMILES:O=C3N(C(=O)C4C1N(CCC1)C(c2ccc(C(=[N@H])N)cc2)C34)CCC[N+](C)(C)C
InChi:InChI=1S/C22H32N5O2/c1-27(2,3)13-5-12-26-21(28)17-16-6-4-11-25(16)19(18(17)22(26)29)14-7-9-15(10-8-14)20(23)24/h7-10,16-19H,4-6,11-13H2,1-3H3,(H3,23,24)/q+1/t16-,17-,18-,19-/m0/s1
定義日:2005-04-12
最終更新日:2011-06-04
識別子（ID）:3-[(3aS,4R,8aS,8bR)-4-(4-carbamimidoylphenyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl]-N,N,N-trimethylpropan-1-aminium
792
792
表記:N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
組成式:C22 H22 N2 O5 S
SMILES:O=S(=O)(c1ccc(OCC#CC)cc1)NC(C(=O)O)Cc3c2cc(ccc2nc3)C
InChi:InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1
定義日:2009-02-05
最終更新日:2011-06-04
識別子（ID）:N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
2GJ
2GJ
表記:5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE
組成式:C26 H31 N3 O5
SMILES:O=C(NCC)c2noc(c1cc(c(O)cc1O)C(C)C)c2c3ccc(cc3)CN4CCOCC4
InChi:InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)
定義日:2007-09-24
最終更新日:2011-06-04
識別子（ID）:5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
OEF
OEF
表記:3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID
組成式:C18 H18 Br2 O4
SMILES:Brc2cc(cc(Br)c2Oc1cc(c(O)cc1)C(C)C)CCC(=O)O
InChi:InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
定義日:2006-08-28
最終更新日:2011-06-04
識別子（ID）:3-{3,5-dibromo-4-[4-hydroxy-3-(1-methylethyl)phenoxy]phenyl}propanoic acid
2IN
2IN
表記:N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDE
組成式:C20 H25 N5 O5 S
SMILES:O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)CO)Cc2ccccc2
InChi:InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1
定義日:2004-02-18
最終更新日:2011-06-04
識別子（ID）:N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide
OIR
OIR
表記:N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE
組成式:C21 H24 N2 O4 S
SMILES:O=C(O)C(NC(=O)C(NC(=O)C(S)Cc1ccccc1)Cc2ccccc2)C
InChi:InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18+/m0/s1
定義日:2003-11-07
最終更新日:2011-06-04
識別子（ID）:N-[(2R)-3-phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-alanine
2NH
2NH
表記:N-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-L-ISOLEUCYL-L-METHIONINE
組成式:C36 H62 N4 O6 S2
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCSC)C(C)CC)C(C)C)CSCC=C(/C)CCC=C(/C)CCC=C(/C)C)C
InChi:InChI=1S/C36H62N4O6S2/c1-11-27(8)32(35(44)38-29(36(45)46)19-20-47-10)40-34(43)31(24(4)5)39-33(42)30(37-28(9)41)22-48-21-18-26(7)17-13-16-25(6)15-12-14-23(2)3/h14,16,18,24,27,29-32H,11-13,15,17,19-22H2,1-10H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)(H,45,46)/b25-16+,26-18+/t27-,29-,30-,31-,32-/m0/s1
定義日:2003-04-25
最終更新日:2011-06-04
識別子（ID）:N-acetyl-S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-L-cysteinyl-L-valyl-L-isoleucyl-L-methionine
OLP
OLP
表記:2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
組成式:C16 H19 Cl N6 O
SMILES:Clc3cccc(/N=C2N=C(Nc1c2ncn1C(C)C)NCCO)c3
InChi:InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
定義日:2006-05-15
最終更新日:2011-06-04
識別子（ID）:2-{[(6Z)-6-[(3-chlorophenyl)imino]-9-(1-methylethyl)-6,9-dihydro-3H-purin-2-yl]amino}ethanol
OLZ
OLZ
表記:O-(2-aminoethyl)-L-serine
組成式:C5 H12 N2 O3
SMILES:O=C(O)C(N)COCCN
InChi:InChI=1S/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
定義日:2008-06-27
最終更新日:2011-06-04
識別子（ID）:O-(2-aminoethyl)-L-serine
OMH
OMH
表記:O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine
組成式:C4 H10 N O6 P
SMILES:O=P(O)(OC)OCC(N)C(=O)O
InChi:InChI=1S/C4H10NO6P/c1-10-12(8,9)11-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
定義日:2009-02-27
最終更新日:2011-06-04
識別子（ID）:O-[(S)-hydroxy(methoxy)phosphoryl]-L-serine
2PG
2PG
表記:2-PHOSPHOGLYCERIC ACID
組成式:C3 H7 O7 P
SMILES:O=P(O)(O)OC(C(=O)O)CO
InChi:InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R)-3-hydroxy-2-(phosphonooxy)propanoic acid
2PQ
2PQ
表記:2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
組成式:C38 H41 N O5
SMILES:O=C(O)C(Oc1cccc2c1CCCN2CCCOc5ccc(C(=O)c4ccc(c3ccccc3)cc4)cc5CCC)(C)C
InChi:InChI=1S/C38H41NO5/c1-4-11-30-26-31(36(40)29-19-17-28(18-20-29)27-12-6-5-7-13-27)21-22-34(30)43-25-10-24-39-23-9-14-32-33(39)15-8-16-35(32)44-38(2,3)37(41)42/h5-8,12-13,15-22,26H,4,9-11,14,23-25H2,1-3H3,(H,41,42)
定義日:2009-02-23
最終更新日:2011-06-04
識別子（ID）:2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
2PY
2PY
表記:(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE
組成式:C23 H21 N5 O
SMILES:N1=CC(=C2C=CC=CC12)CC(N)COc5cc(c3cc4c(cc3)nnc4)cnc5
InChi:InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23?/m0/s1
定義日:2007-01-17
最終更新日:2011-06-04
識別子（ID）:(2S)-1-{[5-(1H-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7aS)-7aH-indol-3-yl]propan-2-amine
OPI
OPI
表記:PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID
組成式:C16 H30 N2 O6
SMILES:O=C(NCCC(=O)NCCO)C(O)C(COC(=O)C(C)(C)C)(C)C
InChi:InChI=1S/C16H30N2O6/c1-15(2,3)14(23)24-10-16(4,5)12(21)13(22)18-7-6-11(20)17-8-9-19/h12,19,21H,6-10H2,1-5H3,(H,17,20)(H,18,22)/t12-/m0/s1
定義日:2003-03-28
最終更新日:2011-06-04
識別子（ID）:(3R)-3-hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl 2,2-dimethylpropanoate
2S8
2S8
表記:(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
組成式:C21 H30 N2 O4
SMILES:O=C(OC(C)(C)C)NCCCCCCC(c2c1ccccc1nc2)C(=O)O
InChi:InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1
定義日:2008-02-08
最終更新日:2011-06-04
識別子（ID）:(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon