Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
DDT
DDT
表記:N,O-DIDANSYL-L-TYROSINE
組成式:C33 H33 N3 O7 S2
SMILES:O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)c5c4cccc(N(C)C)c4ccc5
InChi:InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1
定義日:2001-07-08
最終更新日:2011-06-04
識別子（ID）:N,O-bis{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-tyrosine
ZZP
ZZP
表記:N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE
組成式:C22 H19 F N4 O4 S
SMILES:Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3N=C2/C=C(OC)C=C(OC)C2
InChi:InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+
定義日:2009-11-09
最終更新日:2011-06-04
識別子（ID）:N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
ZZQ
ZZQ
表記:2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE
組成式:C25 H23 N5 O3 S
SMILES:O=C3C5=C(N=C(SCC(=O)Nc2cc1nccnc1cc2)N3c4ccccc4OC)CCCC5
InChi:InChI=1S/C25H23N5O3S/c1-33-22-9-5-4-8-21(22)30-24(32)17-6-2-3-7-18(17)29-25(30)34-15-23(31)28-16-10-11-19-20(14-16)27-13-12-26-19/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,28,31)
定義日:2009-11-09
最終更新日:2011-06-04
識別子（ID）:2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-quinoxalin-6-ylacetamide
DDU
DDU
表記:2'-5'DIDEOXYURIDINE
組成式:C9 H12 N2 O4
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2)C
InChi:InChI=1S/C9H12N2O4/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14/h2-3,5-6,8,12H,4H2,1H3,(H,10,13,14)/t5-,6+,8-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2',5'-dideoxyuridine
ZZR
ZZR
表記:3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
組成式:C3 H6 N7
SMILES:n1c(N)n[n+]2c(nnc12)N
InChi:InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1
定義日:2009-11-10
最終更新日:2011-06-04
識別子（ID）:3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
YI1
YI1
表記:[4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM
組成式:C14 H15 F2 N O4 P
SMILES:[NH3+]OCc1ccc(cc1)c2cccc(c2)C(F)(F)[P](O)(O)=O
InChi:InChI=1S/C14H14F2NO4P/c15-14(16,22(18,19)20)13-3-1-2-12(8-13)11-6-4-10(5-7-11)9-21-17/h1-8H,9H2,17H3,(H-,18,19,20)/p+1
定義日:2010-12-14
最終更新日:2011-06-04
識別子（ID）:[4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium
ZZS
ZZS
表記:1,3,5-TRIAZINE-2,4-DIAMINE
組成式:C3 H5 N5
SMILES:n1c(nc(nc1)N)N
InChi:InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
定義日:2009-11-12
最終更新日:2011-06-04
識別子（ID）:1,3,5-triazine-2,4-diamine
DDX
DDX
表記:2',3'-DEHYDRO-2',3'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
組成式:C5 H9 O6 P
SMILES:O=P(OCC1OC(O)C=C1)(O)O
InChi:InChI=1S/C5H9O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h1-2,4-6H,3H2,(H2,7,8,9)/t4-,5-/m0/s1
定義日:2002-08-22
最終更新日:2011-06-04
識別子（ID）:[(2S,5S)-5-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
ZZT
ZZT
表記:2-METHOXY-5-METHYLANILINE
組成式:C8 H11 N O
SMILES:O(c1ccc(cc1N)C)C
InChi:InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
定義日:2009-11-20
最終更新日:2011-06-04
識別子（ID）:2-methoxy-5-methylaniline
YVN
YVN
表記:N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide
組成式:C21 H30 N5 O9 P
SMILES:O=C(N)CC(C(=O)N)NC(=O)C(NC(=O)C2C(C(=O)NC)C2c1ccc(OP(=O)(O)O)cc1)C(C)C
InChi:InChI=1S/C21H30N5O9P/c1-9(2)17(21(31)25-12(18(23)28)8-13(22)27)26-20(30)16-14(15(16)19(29)24-3)10-4-6-11(7-5-10)35-36(32,33)34/h4-7,9,12,14-17H,8H2,1-3H3,(H2,22,27)(H2,23,28)(H,24,29)(H,25,31)(H,26,30)(H2,32,33,34)/t12-,14-,15+,16+,17-/m0/s1
定義日:2006-08-01
最終更新日:2011-06-04
識別子（ID）:N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide
ZZV
ZZV
表記:N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
組成式:C20 H18 F N3 O4 S
SMILES:O=S(=O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F)cc4)C)C
InChi:InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3
定義日:2010-10-04
最終更新日:2011-06-04
識別子（ID）:N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
ZZW
ZZW
表記:9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
組成式:C19 H14 F N3 O2
SMILES:Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4
InChi:InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
定義日:2010-10-04
最終更新日:2011-06-04
識別子（ID）:9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
XCF
XCF
表記:5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
組成式:C19 H22 N4 O3
SMILES:n1cc(c(nc1N)N)Cc3cc(OC)c(OC)c2OC(C=Cc23)C4CC4
InChi:InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1
定義日:2009-01-22
最終更新日:2011-06-04
識別子（ID）:5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
T95
T95
表記:N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
組成式:C33 H38 N6 O4
SMILES:O=C(Nc1c(cccc1C)C)c3c(Oc2ccccc2OCC)nc(nc3)Nc5ccc(N4CCN(CCO)CC4)cc5
InChi:InChI=1S/C33H38N6O4/c1-4-42-28-10-5-6-11-29(28)43-32-27(31(41)36-30-23(2)8-7-9-24(30)3)22-34-33(37-32)35-25-12-14-26(15-13-25)39-18-16-38(17-19-39)20-21-40/h5-15,22,40H,4,16-21H2,1-3H3,(H,36,41)(H,34,35,37)
定義日:2008-10-02
最終更新日:2011-06-04
識別子（ID）:N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
YVQ
YVQ
表記:3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
組成式:C17 H12 N6
SMILES:n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4
InChi:InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)
定義日:2010-05-19
最終更新日:2011-06-04
識別子（ID）:3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
DE1
DE1
表記:DECAN-1-OL
組成式:C10 H22 O
SMILES:OCCCCCCCCCC
InChi:InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
定義日:2005-05-17
最終更新日:2011-06-04
識別子（ID）:decan-1-ol
ZZX
ZZX
表記:(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
組成式:C21 H21 Cl F N5 O4
SMILES:Fc1ccc(cc1Cl)CN4N=C(c3n2c(C(=O)N(CC2C)CC)c(O)c3C4=O)C(=O)NC
InChi:InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1
定義日:2010-10-04
最終更新日:2011-06-04
識別子（ID）:(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
ZZY
ZZY
表記:1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE
組成式:C14 H10 N4 O5 S
SMILES:[O-][N+](=O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N
InChi:InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)
定義日:2009-03-19
最終更新日:2011-06-04
識別子（ID）:1-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
XCG
XCG
表記:2-(2-BENZOFURANYL)-2-IMIDAZOLINE
組成式:C11 H8 N2 O
SMILES:n1ccnc1c3oc2ccccc2c3
InChi:InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
定義日:2010-04-23
最終更新日:2011-06-04
識別子（ID）:2-(1-benzofuran-2-yl)-1H-imidazole
DE3
DE3
表記:N,N-diethyl-3-methylbenzamide
組成式:C12 H17 N O
SMILES:O=C(N(CC)CC)c1cccc(c1)C
InChi:InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
定義日:2010-06-07
最終更新日:2011-06-04
識別子（ID）:N,N-diethyl-3-methylbenzamide
XCL
XCL
表記:[(1S,4R,6R)-6-HYDROXY-4-(CYTOSIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
組成式:C11 H16 N3 O6 P
SMILES:O=C1N=C(C=CN1C2C=CC(COP(=O)(O)O)C(O)C2)N
InChi:InChI=1S/C11H16N3O6P/c12-10-3-4-14(11(16)13-10)8-2-1-7(9(15)5-8)6-20-21(17,18)19/h1-4,7-9,15H,5-6H2,(H2,12,13,16)(H2,17,18,19)/t7-,8-,9+/m0/s1
定義日:2006-05-19
最終更新日:2011-06-04
識別子（ID）:[(1S,4R,6R)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
DEA
DEA
表記:D-ERITADENINE
組成式:C9 H11 N5 O4
SMILES:O=C(O)C(O)C(O)Cn1c2ncnc(c2nc1)N
InChi:InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1
定義日:1999-10-12
最終更新日:2011-06-04
識別子（ID）:(2R,3R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoic acid
DEB
DEB
表記:6-DEOXYERYTHRONOLIDE B
組成式:C21 H38 O6
SMILES:O=C1OC(C(C(O)C(C(=O)C(CC(C)C(O)C(C)C(O)C1C)C)C)C)CC
InChi:InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
DED
DED
表記:2-DIMETHYLAMINO-ETHYL-DIPHOSPHATE
組成式:C4 H13 N O7 P2
SMILES:O=P(OP(=O)(OCCN(C)C)O)(O)O
InChi:InChI=1S/C4H13NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
定義日:2002-12-30
最終更新日:2011-06-04
識別子（ID）:2-(dimethylamino)ethyl trihydrogen diphosphate
ZK5
ZK5
表記:9ALPHA-FLUOROCORTISOL
組成式:C21 H29 F O5
SMILES:O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)CC1)CCC4C2CC3)C)C
InChi:InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
定義日:2001-12-27
最終更新日:2011-06-04
識別子（ID）:(11alpha)-9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione

234440

件を2025-04-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon