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
51S
51S
表記:2,4-dimethylaniline
組成式:C8 H11 N
SMILES:c1(cc(C)c(cc1)N)C
InChi:InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
定義日:2015-07-13
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2,4-dimethylaniline
56E
56E
表記:ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate
組成式:C10 H13 N O3 S
SMILES:C(c1csc(c1)C)(=O)NCC(=O)OCC
InChi:InChI=1S/C10H13NO3S/c1-3-14-9(12)5-11-10(13)8-4-7(2)15-6-8/h4,6H,3,5H2,1-2H3,(H,11,13)
定義日:2015-08-04
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:ethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate
56F
56F
表記:1-(4-chlorophenyl)-N-methylmethanesulfonamide
組成式:C8 H10 Cl N O2 S
SMILES:N(C)S(Cc1ccc(cc1)Cl)(=O)=O
InChi:InChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
定義日:2015-08-04
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:1-(4-chlorophenyl)-N-methylmethanesulfonamide
56K
56K
表記:3-(2-methyl-1,3-thiazol-4-yl)aniline
組成式:C10 H10 N2 S
SMILES:c1cc(cc(c1)c2csc(n2)C)N
InChi:InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
定義日:2015-08-05
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:3-(2-methyl-1,3-thiazol-4-yl)aniline
56L
56L
表記:5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
組成式:C7 H10 N2 O2 S
SMILES:CC(C1C(NC(NC1=O)=S)=O)C
InChi:InChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12)
定義日:2015-08-05
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
56T
56T
表記:2-(furan-2-yl)ethanamine
組成式:C6 H9 N O
SMILES:c1c(CCN)occ1
InChi:InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
定義日:2015-08-06
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2-(furan-2-yl)ethanamine
56U
56U
表記:2-(difluoromethyl)-1H-benzimidazole
組成式:C8 H6 F2 N2
SMILES:c2c1c(nc(C(F)F)n1)ccc2
InChi:InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
定義日:2015-08-06
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2-(difluoromethyl)-1H-benzimidazole
56V
56V
表記:(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
組成式:C9 H8 N2 O S
SMILES:c2c1nc3SCC(n3c1ccc2)O
InChi:InChI=1S/C9H8N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4,8,12H,5H2/t8-/m1/s1
定義日:2015-08-06
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:(3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
A7W
A7W
表記:8-AMINO-3-QUINOLINOL
組成式:C9 H8 N2 O
SMILES:Nc1cccc2cc(O)cnc12
InChi:InChI=1S/C9H8N2O/c10-8-3-1-2-6-4-7(12)5-11-9(6)8/h1-5,12H,10H2
定義日:2016-05-04
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:8-azanylquinolin-3-ol
6F8
6F8
表記:3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
組成式:C21 H32 O2
SMILES:CCC[C@H]=[C@H]C[C@H]=[C@H]CCCCCCCc1cccc(c1O)O
InChi:InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
定義日:2016-03-29
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
6FM
6FM
表記:2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
組成式:C12 H13 F N5 O6 P
SMILES:c21n(cnc1c(nc(n2)F)N)C3CC(C(C#C)(O3)COP(O)(=O)O)O
InChi:InChI=1S/C12H13FN5O6P/c1-2-12(4-23-25(20,21)22)6(19)3-7(24-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1
定義日:2016-03-30
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
6FN
6FN
表記:2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)
組成式:C12 H15 F N5 O12 P3
SMILES:c21n(cnc1c(nc(n2)F)N)C3CC(C(COP(O)(OP(=O)(O)OP(O)(O)=O)=O)(C#C)O3)O
InChi:InChI=1S/C12H15FN5O12P3/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1
定義日:2016-03-30
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)
6L6
6L6
表記:methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)
組成式:C10 H10 O2 S2
SMILES:C(O)(c1cc(ccc1)O)=CC(=S)SC
InChi:InChI=1S/C10H10O2S2/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,11-12H,1H3/b9-6-
定義日:2016-04-27
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)
6OM
6OM
表記:(2Z)-2-methylbut-2-ene-1,4-diol
組成式:C5 H10 O2
SMILES:C(/CO)(=C/CO)C
InChi:InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3/b5-2-
定義日:2016-02-10
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:(2Z)-2-methylbut-2-ene-1,4-diol
6S5
6S5
表記:(S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
組成式:C21 H25 N3 O3
SMILES:O=C(NCc1occc1)C2CCN(CC2)C(=O)[CH]3Cc4ccccc4CN3
InChi:InChI=1S/C21H25N3O3/c25-20(23-14-18-6-3-11-27-18)15-7-9-24(10-8-15)21(26)19-12-16-4-1-2-5-17(16)13-22-19/h1-6,11,15,19,22H,7-10,12-14H2,(H,23,25)/t19-/m0/s1
定義日:2016-06-10
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:~{N}-(furan-2-ylmethyl)-1-[[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl]piperidine-4-carboxamide
6VD
6VD
表記:2-ETHYL-4(1H)-QUINOLINONE
組成式:C11 H11 N O
SMILES:CCc1cc(O)c2ccccc2n1
InChi:InChI=1S/C11H11NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-7H,2H2,1H3,(H,12,13)
定義日:2016-05-04
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2-ethylquinolin-4-ol
63J
63J
表記:2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide
組成式:C26 H24 F3 N7 O3 S
SMILES:C(c1ncccc1)C(Nc4nnc(CCCCc2nnc(cc2)NC(Cc3cccc(c3)OC(F)(F)F)=O)s4)=O
InChi:InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
定義日:2016-01-19
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide
4TU
4TU
表記:5-chloranyl-2,3-dihydroindole-1-carboxamide
組成式:C9 H9 Cl N2 O
SMILES:NC(=O)N1CCc2cc(Cl)ccc12
InChi:InChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)
定義日:2016-05-04
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:5-chloranyl-2,3-dihydroindole-1-carboxamide
5IM
5IM
表記:2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE
組成式:C8 H13 N3 S
SMILES:Nc1csc(n1)N2CCCCC2
InChi:InChI=1S/C8H13N3S/c9-7-6-12-8(10-7)11-4-2-1-3-5-11/h6H,1-5,9H2
定義日:2016-05-04
最終更新日:2016-07-29
公開日:2016-08-03
識別子（ID）:2-piperidin-1-yl-1,3-thiazol-4-amine
ZUQ
ZUQ
表記:N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide
組成式:C15 H13 Cl N4 O3
SMILES:Clc1cnc2OCOc2c1Nc3ccnc(NC(=O)C4CC4)c3
InChi:InChI=1S/C15H13ClN4O3/c16-10-6-18-15-13(22-7-23-15)12(10)19-9-3-4-17-11(5-9)20-14(21)8-1-2-8/h3-6,8H,1-2,7H2,(H2,17,18,19,20,21)
定義日:2015-12-17
最終更新日:2016-07-22
公開日:2016-07-27
識別子（ID）:N-[4-[(6-chloranyl-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]pyridin-2-yl]cyclopropanecarboxamide
K82
K82
表記:1-(3-chloro-4-propoxyphenyl)methanamine
組成式:C10 H14 Cl N O
SMILES:Clc1cc(CN)ccc1OCCC
InChi:InChI=1S/C10H14ClNO/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6H,2,5,7,12H2,1H3
定義日:2015-07-23
最終更新日:2016-07-22
公開日:2016-07-27
識別子（ID）:1-(3-chloro-4-propoxyphenyl)methanamine
LBH
LBH
表記:Panobinostat
組成式:C21 H23 N3 O2
SMILES:Cc1[nH]c2ccccc2c1CCNCc3ccc(C=CC(=O)NO)cc3
InChi:InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
定義日:2015-10-29
最終更新日:2016-07-22
公開日:2016-07-27
識別子（ID）:(~{E})-3-[4-[[2-(2-methyl-1~{H}-indol-3-yl)ethylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide
54E
54E
表記:1-(2-chlorobiphenyl-4-yl)methanamine
組成式:C13 H12 Cl N
SMILES:Clc1cc(ccc1c2ccccc2)CN
InChi:InChI=1S/C13H12ClN/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9,15H2
定義日:2015-07-23
最終更新日:2016-07-22
公開日:2016-07-27
識別子（ID）:1-(2-chlorobiphenyl-4-yl)methanamine
54S
54S
表記:N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
組成式:C26 H26 Cl N3 O4
SMILES:C(CC(NCCC(Nc1cc(ccc1)C(O)=O)=O)=O)NCc2ccc(c(c2)Cl)c3ccccc3
InChi:InChI=1S/C26H26ClN3O4/c27-23-15-18(9-10-22(23)19-5-2-1-3-6-19)17-28-13-11-24(31)29-14-12-25(32)30-21-8-4-7-20(16-21)26(33)34/h1-10,15-16,28H,11-14,17H2,(H,29,31)(H,30,32)(H,33,34)
定義日:2015-07-24
最終更新日:2016-07-22
公開日:2016-07-27
識別子（ID）:N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
54Z
54Z
表記:1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine
組成式:C8 H7 Cl F3 N O
SMILES:c1(Cl)cc(ccc1OC(F)(F)F)CN
InChi:InChI=1S/C8H7ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H,4,13H2
定義日:2015-07-26
最終更新日:2016-07-22
公開日:2016-07-27
識別子（ID）:1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine

225946

件を2024-10-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon