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
8KF
8KF
表記:2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
組成式:C20 H13 F3 N2 O2
SMILES:FC(F)(F)c1ccc(Nc2cc3c4ccccc4[NH]c3cc2)c(c1)C(=O)O
InChi:InChI=1S/C20H13F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-10,24-25H,(H,26,27)
定義日:2021-09-22
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
8KQ
8KQ
表記:2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid
組成式:C20 H17 F3 N2 O2
SMILES:FC(F)(F)c1ccc(NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O
InChi:InChI=1S/C20H17F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-5,7,9,12,24-25H,6,8,10H2,(H,26,27)/t12-/m1/s1
定義日:2021-09-22
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid
D06
D06
表記:(2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one
組成式:C20 H29 N3 O
SMILES:O=C(N1Cc2ccccc2C1)C(N)C1CCC(CC1)N1CCCC1
InChi:InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15-,18-,19-/m0/s1
定義日:2021-11-23
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:(2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one
JYO
JYO
表記:(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
組成式:C22 H20 F3 N3 O2
SMILES:NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4
InChi:InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1
定義日:2022-05-16
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
1IX
1IX
表記:(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
組成式:C24 H21 Cl F N5 O3
SMILES:COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5
InChi:InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
別名:Nedisertib
定義日:2021-06-11
最終更新日:2022-09-28
公開日:2022-01-12
識別子（ID）:(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
72Q
72Q
表記:3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
組成式:C17 H12 F3 N O4 S
SMILES:N#Cc1cc(cc(c1)F)Oc2ccc(c3c2C(F)C(C3O)F)S(C)(=O)=O
InChi:InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
別名:Belzutifan
定義日:2016-08-17
最終更新日:2022-09-28
公開日:2016-08-31
識別子（ID）:3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
94M
94M
表記:6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
組成式:C14 H15 Cl N6 O
SMILES:Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N
InChi:InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
別名:BIIB021
定義日:2010-07-30
最終更新日:2022-09-28
識別子（ID）:6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
7LD
7LD
表記:(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
組成式:C20 H25 N3 O
SMILES:n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C
InChi:InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
別名:Lysergic acid diethylamide
定義日:2016-11-10
最終更新日:2022-09-27
公開日:2017-02-01
識別子（ID）:(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
92S
92S
表記:1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
組成式:C24 H28 F N3 O
SMILES:CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25
InChi:InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
別名:lumateperone
定義日:2022-01-01
最終更新日:2022-09-27
公開日:2022-01-26
識別子（ID）:1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
IMH
IMH
表記:1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL
組成式:C11 H14 N4 O4
SMILES:OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O
InChi:InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
別名:Forodesine
定義日:1999-07-08
最終更新日:2022-09-26
識別子（ID）:7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
NYI
NYI
表記:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
組成式:C11 H10 N2 O2
SMILES:C=CC(=O)N1CC(=O)Nc2ccccc12
InChi:InChI=1S/C11H10N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h2-6H,1,7H2,(H,12,14)
定義日:2022-08-24
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
WIR
WIR
表記:(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol
組成式:C22 H26 N8 O
SMILES:CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC1c2ccccc2CC1O
InChi:InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1
定義日:2022-09-13
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol
UA6
UA6
表記:2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide
組成式:C23 H15 F6 N3 O
SMILES:FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc2)c(c1)C(F)(F)F
InChi:InChI=1S/C23H15F6N3O/c24-22(25,26)17-11-10-16(20(15-17)23(27,28)29)14-21(33)32(19-8-2-1-3-9-19)13-5-7-18-6-4-12-30-31-18/h1-4,6,8-12,15H,13-14H2
定義日:2022-08-15
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide
UAF
UAF
表記:N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide
組成式:C16 H14 F3 N3 S
SMILES:FC(F)(F)C1=C2C=CC=C2NN1CC(=S)N(C)c1ccccc1
InChi:InChI=1S/C16H14F3N3S/c1-21(11-6-3-2-4-7-11)14(23)10-22-15(16(17,18)19)12-8-5-9-13(12)20-22/h2-9,20H,10H2,1H3
定義日:2022-08-15
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide
Z9A
Z9A
表記:methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate
組成式:C18 H24 Br N3 O5
SMILES:Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1
InChi:InChI=1S/C18H24BrN3O5/c1-11(18(26)27-2)21-17(25)14(10-15(20)23)22-16(24)5-3-4-12-6-8-13(19)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t11-,14+/m0/s1
定義日:2021-04-13
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate
Z9G
Z9G
表記:N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine
組成式:C14 H17 Br N2 O4
SMILES:Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)cc1
InChi:InChI=1S/C14H17BrN2O4/c15-10-6-4-9(5-7-10)2-1-3-13(19)17-11(14(20)21)8-12(16)18/h4-7,11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21)/t11-/m1/s1
定義日:2021-04-13
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine
QH7
QH7
表記:2,3,6-trifluoro-N-hydroxybenzamide
組成式:C7 H4 F3 N O2
SMILES:Fc1c(C(=O)NO)c(F)ccc1F
InChi:InChI=1S/C7H4F3NO2/c8-3-1-2-4(9)6(10)5(3)7(12)11-13/h1-2,13H,(H,11,12)
定義日:2022-06-10
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2,3,6-trifluoro-N-hydroxybenzamide
QHO
QHO
表記:2,3,5-trifluoro-N-hydroxybenzamide
組成式:C7 H4 F3 N O2
SMILES:Fc1c(cc(F)cc1F)C(=O)NO
InChi:InChI=1S/C7H4F3NO2/c8-3-1-4(7(12)11-13)6(10)5(9)2-3/h1-2,13H,(H,11,12)
定義日:2022-06-10
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2,3,5-trifluoro-N-hydroxybenzamide
W58
W58
表記:5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine
組成式:C13 H15 N
SMILES:C1CC=C(CN1)c2ccc3CCc3c2
InChi:InChI=1S/C13H15N/c1-2-13(9-14-7-1)12-6-4-10-3-5-11(10)8-12/h2,4,6,8,14H,1,3,5,7,9H2
定義日:2021-12-09
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine
QHX
QHX
表記:3,5-difluoro-N-hydroxybenzamide
組成式:C7 H5 F2 N O2
SMILES:Fc1cc(cc(F)c1)C(=O)NO
InChi:InChI=1S/C7H5F2NO2/c8-5-1-4(7(11)10-12)2-6(9)3-5/h1-3,12H,(H,10,11)
定義日:2022-06-10
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:3,5-difluoro-N-hydroxybenzamide
QI5
QI5
表記:2,3,4,5,6-pentafluoro-N-hydroxybenzamide
組成式:C7 H2 F5 N O2
SMILES:Fc1c(c(F)c(F)c(F)c1F)C(=O)NO
InChi:InChI=1S/C7H2F5NO2/c8-2-1(7(14)13-15)3(9)5(11)6(12)4(2)10/h15H,(H,13,14)
定義日:2022-06-10
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2,3,4,5,6-pentafluoro-N-hydroxybenzamide
QI8
QI8
表記:2,3,5,6-tetrafluoro-N-hydroxybenzamide
組成式:C7 H3 F4 N O2
SMILES:Fc1c(C(=O)NO)c(F)c(F)cc1F
InChi:InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)
定義日:2022-06-10
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2,3,5,6-tetrafluoro-N-hydroxybenzamide
5L1
5L1
表記:11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
組成式:C29 H24 F2 N7 Pt
SMILES:Cn1cc[n](c2ccccn2)c1[Pt](c3cc(F)cc(F)c3c4ccccn4)c5n(cc[n]5C)c6ccccn6
InChi:InChI=1S/C11H6F2N.2C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11
定義日:2021-08-19
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
W96
W96
表記:N-pyridin-4-ylisoquinolin-4-amine
組成式:C14 H11 N3
SMILES:N(c1ccncc1)c2cncc3ccccc23
InChi:InChI=1S/C14H11N3/c1-2-4-13-11(3-1)9-16-10-14(13)17-12-5-7-15-8-6-12/h1-10H,(H,15,17)
定義日:2021-12-09
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:~{N}-pyridin-4-ylisoquinolin-4-amine
LQ6
LQ6
表記:(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
組成式:C21 H19 Cl2 N5 O4 S
SMILES:Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4
InChi:InChI=1S/C21H19Cl2N5O4S/c22-14-4-3-12(8-15(14)23)28-6-5-27(20(31)16-9-18(29)26-21(32)25-16)11-17(28)19(30)24-10-13-2-1-7-33-13/h1-4,7-9,17H,5-6,10-11H2,(H,24,30)(H2,25,26,29,32)/t17-/m0/s1
定義日:2022-07-07
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

243531

件を2025-10-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon