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
6MH
6MH
表記:1-hydroxy-6-methylpyridine-2(1H)-thione
組成式:C6 H7 N O S
SMILES:S=C1C=CC=C(N1O)C
InChi:InChI=1S/C6H7NOS/c1-5-3-2-4-6(9)7(5)8/h2-4,8H,1H3
定義日:2014-04-29
最終更新日:2015-03-06
公開日:2015-03-11
識別子（ID）:1-hydroxy-6-methylpyridine-2(1H)-thione
2AX
2AX
表記:(3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
組成式:C15 H15 N O4 S
SMILES:O=C(O)C1CC2C(=O)c3c(C(=O)C2SCC1C)cncc3
InChi:InChI=1S/C15H15NO4S/c1-7-6-21-14-10(4-9(7)15(19)20)12(17)8-2-3-16-5-11(8)13(14)18/h2-3,5,7,9-10,14H,4,6H2,1H3,(H,19,20)/t7-,9+,10+,14+/m0/s1
定義日:2013-09-17
最終更新日:2015-03-06
公開日:2015-03-11
識別子（ID）:(3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
HQT
HQT
表記:2-hydroxyisoquinoline-1(2H)-thione
組成式:C9 H7 N O S
SMILES:S=C1c2ccccc2C=CN1O
InChi:InChI=1S/C9H7NOS/c11-10-6-5-7-3-1-2-4-8(7)9(10)12/h1-6,11H
定義日:2014-04-29
最終更新日:2015-03-06
公開日:2015-03-11
識別子（ID）:2-hydroxyisoquinoline-1(2H)-thione
HT4
HT4
表記:4-methyl-2-sulfanylphenol
組成式:C7 H8 O S
SMILES:Oc1ccc(cc1S)C
InChi:InChI=1S/C7H8OS/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
定義日:2014-05-01
最終更新日:2015-03-06
公開日:2015-03-11
識別子（ID）:4-methyl-2-sulfanylphenol
4FH
4FH
表記:1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione
組成式:C6 H4 F3 N O S
SMILES:S=C1C=C(C=CN1O)C(F)(F)F
InChi:InChI=1S/C6H4F3NOS/c7-6(8,9)4-1-2-10(11)5(12)3-4/h1-3,11H
定義日:2014-04-29
最終更新日:2015-03-06
公開日:2015-03-11
識別子（ID）:1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione
4H2
4H2
表記:4-methylpyridine-2(1H)-thione
組成式:C6 H7 N S
SMILES:S=C1C=C(C=CN1)C
InChi:InChI=1S/C6H7NS/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
定義日:2014-04-29
最終更新日:2015-03-06
公開日:2015-03-11
識別子（ID）:4-methylpyridine-2(1H)-thione
4HO
4HO
表記:1-hydroxy-4-methylpyridin-2(1H)-one
組成式:C6 H7 N O2
SMILES:O=C1C=C(C=CN1O)C
InChi:InChI=1S/C6H7NO2/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
定義日:2014-04-29
最終更新日:2015-03-06
公開日:2015-03-11
識別子（ID）:1-hydroxy-4-methylpyridin-2(1H)-one
YAP
YAP
表記:5'-O-[(R)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine
組成式:C19 H23 N6 O9 P
SMILES:C(=O)(C(N)Cc1ccc(O)cc1)OP(=O)(O)OCC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O
InChi:InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1
定義日:2011-09-07
最終更新日:2015-03-05
識別子（ID）:5'-O-[(R)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine
3V7
3V7
表記:3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol
組成式:C6 H11 N3 O2
SMILES:OCCCn1nnc(c1)CO
InChi:InChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2
定義日:2014-11-11
最終更新日:2015-03-02
公開日:2015-03-04
識別子（ID）:3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol
VJP
VJP
表記:1-[(4-aminophenyl)sulfonyl]piperidin-2-one
組成式:C11 H14 N2 O3 S
SMILES:O=C2N(S(=O)(=O)c1ccc(N)cc1)CCCC2
InChi:InChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2
定義日:2014-07-02
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:1-[(4-aminophenyl)sulfonyl]piperidin-2-one
RV1
RV1
表記:N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
組成式:C10 H12 N2 O3 S
SMILES:O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2
InChi:InChI=1S/C10H12N2O3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)
定義日:2014-07-02
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
UMK
UMK
表記:4-(4-BROMOPHENYL)PIPERIDIN-4-OL
組成式:C11 H14 Br N O
SMILES:Brc1ccc(cc1)C2(O)CCNCC2
InChi:InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
定義日:2014-07-02
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:4-(4-bromophenyl)piperidin-4-ol
11V
11V
表記:1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C25 H27 Cl N6 O S
SMILES:ClC(c1ccccc1)Cn4ncc3c(nc(SCCN2CCOCC2)nc34)Nc5ccccc5
InChi:InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)/t22-/m0/s1
定義日:2012-10-01
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
L71
L71
表記:(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
組成式:C13 H16 N2 O2
SMILES:O=C2N(C(=O)CC2c1cccc(c1)CN)CC
InChi:InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1
定義日:2014-07-02
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
L7S
L7S
表記:3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
組成式:C13 H14 N2 O3
SMILES:O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC
InChi:InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1
定義日:2014-07-02
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
1TR
1TR
表記:4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
組成式:C20 H19 F N6
SMILES:Fc4ccc(c1nc3cc(ccn3c1c2nc(ncc2)N)CN(C)C)cc4
InChi:InChI=1S/C20H19FN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24)
定義日:2014-02-14
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:4-{7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
9W7
9W7
表記:2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
組成式:C14 H11 Cl F N O4
SMILES:Clc2cc(ccc2Oc1cc(F)c(cc1O)CC)[N+]([O-])=O
InChi:InChI=1S/C14H11ClFNO4/c1-2-8-5-12(18)14(7-11(8)16)21-13-4-3-9(17(19)20)6-10(13)15/h3-7,18H,2H2,1H3
定義日:2014-10-27
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
3UT
3UT
表記:(5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
組成式:C24 H18 F2 N4 O3
SMILES:Fc1ncccc1c6cc5c(Oc3c(F)nc(C2=CCCOC2)cc3C54N=C(OC4)N)cc6
InChi:InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1
定義日:2014-11-06
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:(5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
3VO
3VO
表記:(4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
組成式:C13 H14 F2 N2 O S
SMILES:Fc1ccc(c(F)c1)C32N=C(SCC3CCOC2)N
InChi:InChI=1S/C13H14F2N2OS/c14-9-1-2-10(11(15)5-9)13-7-18-4-3-8(13)6-19-12(16)17-13/h1-2,5,8H,3-4,6-7H2,(H2,16,17)/t8-,13-/m0/s1
定義日:2014-11-17
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:(4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
3VP
3VP
表記:(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
組成式:C14 H15 F3 N2 O S
SMILES:Fc1ccc(c(F)c1)C32N=C(SCC3CC(OC2)CF)N
InChi:InChI=1S/C14H15F3N2OS/c15-5-10-3-8-6-21-13(18)19-14(8,7-20-10)11-2-1-9(16)4-12(11)17/h1-2,4,8,10H,3,5-7H2,(H2,18,19)/t8-,10+,14-/m0/s1
定義日:2014-11-17
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
3WP
3WP
表記:(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
組成式:C11 H12 F2 N2 S
SMILES:Fc1ccc(c(F)c1)C2(N=C(SCC2)N)C
InChi:InChI=1S/C11H12F2N2S/c1-11(4-5-16-10(14)15-11)8-3-2-7(12)6-9(8)13/h2-3,6H,4-5H2,1H3,(H2,14,15)/t11-/m0/s1
定義日:2014-11-28
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
3H5
3H5
表記:N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
組成式:C13 H13 N5 O
SMILES:O=C(c1cn(nc1C)C)Nc3nc2ccccc2n3
InChi:InChI=1S/C13H13N5O/c1-8-9(7-18(2)17-8)12(19)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16,19)
定義日:2014-08-19
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
40W
40W
表記:4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
組成式:C18 H20 N2 O2
SMILES:O=C(N)c1ccc(cc1)n3c2c(C(=O)CC(C2)(C)C)c(c3)C
InChi:InChI=1S/C18H20N2O2/c1-11-10-20(13-6-4-12(5-7-13)17(19)22)14-8-18(2,3)9-15(21)16(11)14/h4-7,10H,8-9H2,1-3H3,(H2,19,22)
定義日:2015-01-08
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
40X
40X
表記:(6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
組成式:C23 H27 Cl N2 O3
SMILES:O=C(N)c3cc4OC(Cc1n(c2c(c1C)C(=O)CC(C2)(C)C)c4cc3Cl)CCC
InChi:InChI=1S/C23H27ClN2O3/c1-5-6-13-7-16-12(2)21-18(10-23(3,4)11-19(21)27)26(16)17-9-15(24)14(22(25)28)8-20(17)29-13/h8-9,13H,5-7,10-11H2,1-4H3,(H2,25,28)/t13-/m0/s1
定義日:2015-01-08
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:(6S)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
40Y
40Y
表記:8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
組成式:C20 H22 N2 O3
SMILES:O=C(N)c3cc4OCCc1n(c2c(c1C)C(=O)CC(C2)(C)C)c4cc3
InChi:InChI=1S/C20H22N2O3/c1-11-13-6-7-25-17-8-12(19(21)24)4-5-14(17)22(13)15-9-20(2,3)10-16(23)18(11)15/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,24)
定義日:2015-01-08
最終更新日:2015-02-27
公開日:2015-03-04
識別子（ID）:8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon