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
SL3
SL3
表記:2'-DEOXY-3'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE
組成式:C19 H28 N6 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)C3=CC(N(O)C3(C)C)(C)C
InChi:InChI=1S/C19H28N6O11P2/c1-18(2)6-10(19(3,4)25(18)27)17(26)35-11-5-13(24-9-23-14-15(20)21-8-22-16(14)24)34-12(11)7-33-38(31,32)36-37(28,29)30/h6,8-9,11-13,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t11-,12+,13+/m0/s1
定義日:2003-04-23
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-3'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate)
BHB
BHB
表記:2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE
組成式:C13 H19 N5 O S
SMILES:O=C1c2c(N=C(N1)N)c(cc(N)c2)CSCCN(C)C
InChi:InChI=1S/C13H19N5OS/c1-18(2)3-4-20-7-8-5-9(14)6-10-11(8)16-13(15)17-12(10)19/h5-6H,3-4,7,14H2,1-2H3,(H3,15,16,17,19)
定義日:2003-08-15
最終更新日:2011-06-04
識別子（ID）:2,6-diamino-8-({[2-(dimethylamino)ethyl]sulfanyl}methyl)quinazolin-4(3H)-one
SLR
SLR
表記:(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
組成式:C10 H17 N O5
SMILES:O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
InChi:InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
定義日:2008-07-29
最終更新日:2011-06-04
識別子（ID）:(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
SM8
SM8
表記:SIMOCYCLINONE D8
組成式:C46 H42 Cl N O18
SMILES:Clc2c(O)ccc1C(O)=C(C(=O)Oc12)NC(=O)C=CC=CC=CC=CC(=O)OC3CC(OC(C)C3OC(=O)C)c8ccc7C(=O)C56OC6(C(O)CC4(O)CC(=CC(=O)C45O)C)C(O)c7c8O
InChi:InChI=1S/C46H42ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,41,50,52,55-56,58,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4+,7-5+,10-8+,11-9+/t21-,27-,28-,30+,38-,41+,43-,44+,45-,46-/m1/s1
定義日:2009-06-19
最終更新日:2011-06-04
識別子（ID）:(1R)-4-O-acetyl-1,5-anhydro-3-O-{(2E,4E,6E,8E)-10-[(8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)amino]-10-oxodeca-2,4,6,8-tetraenoyl}-2,6-dideoxy-1-[(4aR,6S,6aS,7S,12aS,12bR)-4a,6,7,8,12b-pentahydroxy-3-methyl-1,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-6a,12a-epoxytetraphen-9-yl]-D-arabino-hexitol
BI8
BI8
表記:3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
組成式:C24 H22 N4 O2
SMILES:O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5
InChi:InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
定義日:2004-01-22
最終更新日:2011-06-04
識別子（ID）:3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
SM9
SM9
表記:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
組成式:C31 H43 N5 O4 S
SMILES:O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(CCN(c3ncnc2c3cccc2)C4)C5
InChi:InChI=1S/C31H43N5O4S/c1-4-40-18-17-36(41(38,39)29-24(2)9-7-10-25(29)3)20-26(37)19-34-15-8-13-31(21-34)14-16-35(22-31)30-27-11-5-6-12-28(27)32-23-33-30/h5-7,9-12,23,26,37H,4,8,13-22H2,1-3H3/t26-,31+/m0/s1
定義日:2011-02-09
最終更新日:2011-06-04
識別子（ID）:N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
BI9
BI9
表記:2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE
組成式:C23 H25 Cl N6 O3
SMILES:O=C(NC)c1ccccc1Nc2nc(ncc2Cl)Nc4c(OC)cc(N3CCOCC3)cc4
InChi:InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
定義日:2008-08-28
最終更新日:2011-06-04
識別子（ID）:2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-N-methylbenzamide
SMQ
SMQ
表記:SIMOCYCLINONE C4
組成式:C37 H38 O15
SMILES:O=C(O)CCCCCCCCC(=O)OC1CC(OC(C)C1OC(=O)C)c6ccc5C(=O)C34OC4(C(O)CC2(O)CC(=CC(=O)C23O)C)C(O)c5c6O
InChi:InChI=1S/C37H38O15/c1-18-14-25(39)36(48)34(47,16-18)17-26(40)35-33(46)29-22(32(45)37(35,36)52-35)13-12-21(30(29)44)23-15-24(31(19(2)49-23)50-20(3)38)51-28(43)11-9-7-5-4-6-8-10-27(41)42/h4-14,19,23-24,26,31,33,40,44,46-48H,15-17H2,1-3H3,(H,41,42)/b6-4+,7-5+,10-8+,11-9+/t19-,23-,24-,26+,31-,33+,34-,35+,36-,37-/m1/s1
定義日:2010-12-17
最終更新日:2011-06-04
識別子（ID）:(1R)-4-O-acetyl-1,5-anhydro-3-O-(9-carboxynonanoyl)-2,6-dideoxy-1-[(4aR,6S,6aS,7S,12aS,12bR)-4a,6,7,8,12b-pentahydroxy-3-methyl-1,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-6a,12a-epoxytetraphen-9-yl]-D-arabino-hexitol
SN0
SN0
表記:N-(3-CARBOXYPROPANOYL)-L-NORVALINE
組成式:C9 H15 N O5
SMILES:O=C(NC(C(=O)O)CCC)CCC(=O)O
InChi:InChI=1S/C9H15NO5/c1-2-3-6(9(14)15)10-7(11)4-5-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m0/s1
定義日:2006-01-16
最終更新日:2011-06-04
識別子（ID）:N-(3-carboxypropanoyl)-L-norvaline
SNB
SNB
表記:1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE
組成式:C16 H13 Br Cl N O
SMILES:Brc3cccc(C1=NCCc2cc(OC)c(Cl)cc12)c3
InChi:InChI=1S/C16H13BrClNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3
定義日:2009-02-08
最終更新日:2011-06-04
識別子（ID）:1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
SPC
SPC
表記:N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE
組成式:C13 H19 N3 O6 S
SMILES:O=S(=O)(c1ccc(OC)cc1)N2C(C(=O)NO)CC(NOC)C2
InChi:InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1
定義日:1999-10-26
最終更新日:2011-06-04
識別子（ID）:(4S)-N-hydroxy-4-(methoxyamino)-1-[(4-methoxyphenyl)sulfonyl]-D-prolinamide
BLN
BLN
表記:MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
組成式:C21 H30 N4 O4
SMILES:O=C(NC(C(=O)NC(C#N)COCc1ccccc1)CC(C)C)N2CCOCC2
InChi:InChI=1S/C21H30N4O4/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1
定義日:2002-10-04
最終更新日:2011-06-04
識別子（ID）:N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
SQO
SQO
表記:2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
組成式:C15 H18 N6 O2
SMILES:O=C1c2cc3nc(nc3cc2N=CN1)NCCN4CCOCC4
InChi:InChI=1S/C15H18N6O2/c22-14-10-7-12-13(8-11(10)17-9-18-14)20-15(19-12)16-1-2-21-3-5-23-6-4-21/h7-9H,1-6H2,(H2,16,19,20)(H,17,18,22)
定義日:2009-03-04
最終更新日:2011-06-04
識別子（ID）:2-[(2-morpholin-4-ylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
BMS
BMS
表記:4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID
組成式:C29 H26 N2 O3
SMILES:O=C(O)c1ccc(cc1)NC(=O)c2ccc5c(c2)C(c3cc4ccccc4nc3)CCC5(C)C
InChi:InChI=1S/C29H26N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-12,15-17,23H,13-14H2,1-2H3,(H,31,32)(H,33,34)
定義日:1999-12-15
最終更新日:2011-06-04
識別子（ID）:4-({[(8S)-5,5-dimethyl-8-quinolin-3-yl-5,6,7,8-tetrahydronaphthalen-2-yl]carbonyl}amino)benzoic acid
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
SR2
SR2
表記:(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
組成式:C20 H20 Br N5 O
SMILES:Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C
InChi:InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
定義日:2007-08-06
最終更新日:2011-06-04
識別子（ID）:(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
SS6
SS6
表記:1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
組成式:C29 H30 N8 O
SMILES:O=C(Nc3cccc(Nc2ncnc1c2cc(N)cc1)c3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C
InChi:InChI=1S/C29H30N8O/c1-18-7-5-10-22(13-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-9-6-8-20(15-21)33-27-23-14-19(30)11-12-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
定義日:2009-03-06
最終更新日:2011-06-04
識別子（ID）:1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
SSC
SSC
表記:(2S,5S)-5-CARBOXYMETHYLPROLINE
組成式:C7 H11 N O4
SMILES:O=C(O)CC1NC(C(=O)O)CC1
InChi:InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
定義日:2003-07-24
最終更新日:2011-06-04
識別子（ID）:(5S)-5-(carboxymethyl)-L-proline
STC
STC
表記:3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID
組成式:C11 H8 Cl N O4 S2
SMILES:O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2
InChi:InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
定義日:2002-03-04
最終更新日:2011-06-04
識別子（ID）:3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
SVE
SVE
表記:N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
組成式:C35 H39 F3 N8 O3
SMILES:O=C(Nc1c(cccc1CC)CC)c4nn(c3c2nc(ncc2CCc34)Nc6ccc(C(=O)NC5CCN(C)CC5)cc6OC(F)(F)F)C
InChi:InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
定義日:2010-03-17
最終更新日:2011-06-04
識別子（ID）:N-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SX3
SX3
表記:4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
組成式:C14 H19 Br N2 O
SMILES:O=C(c1cc(Br)ccc1N)N2CC(CC(C)C2)C
InChi:InChI=1S/C14H19BrN2O/c1-9-5-10(2)8-17(7-9)14(18)12-6-11(15)3-4-13(12)16/h3-4,6,9-10H,5,7-8,16H2,1-2H3/t9-,10+
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
SX4
SX4
表記:4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
組成式:C18 H18 Br Cl N2 O
SMILES:O=C(c1cc(Br)ccc1N)N2CCCC2Cc3ccccc3Cl
InChi:InChI=1S/C18H18BrClN2O/c19-13-7-8-17(21)15(11-13)18(23)22-9-3-5-14(22)10-12-4-1-2-6-16(12)20/h1-2,4,6-8,11,14H,3,5,9-10,21H2/t14-/m1/s1
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
SX6
SX6
表記:N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
組成式:C22 H30 Br N3 O4
SMILES:O=C(N1CCOCC1)CCC(=O)Nc3ccc(Br)cc3C(=O)N2CC(C)CC(C)C2
InChi:InChI=1S/C22H30BrN3O4/c1-15-11-16(2)14-26(13-15)22(29)18-12-17(23)3-4-19(18)24-20(27)5-6-21(28)25-7-9-30-10-8-25/h3-4,12,15-16H,5-11,13-14H2,1-2H3,(H,24,27)/t15-,16+
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
SX8
SX8
表記:6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
組成式:C18 H13 N7 S
SMILES:n3c(ccc4nnc(Sc2cc1cccnc1cc2)n34)c5cn(nc5)C
InChi:InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
定義日:2008-07-09
最終更新日:2011-06-04
識別子（ID）:6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
G9D
G9D
表記:3-(morpholin-4-ylmethyl)-1,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one
組成式:C15 H16 N4 O2
SMILES:O=C1NN=C(CN2CCOCC2)c3c[nH]c4cccc1c34
InChi:InChI=1S/C15H16N4O2/c20-15-10-2-1-3-12-14(10)11(8-16-12)13(17-18-15)9-19-4-6-21-7-5-19/h1-3,8,16H,4-7,9H2,(H,18,20)
定義日:2009-11-03
最終更新日:2011-06-04

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon