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
WTG
WTG
表記:2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
組成式:C20 H18 F N3 O5
SMILES:c3c(c(OC)cc(CCNC(=O)C2=C(O)C(=O)N=C(c1c(cccc1)F)N2)c3)O
InChi:InChI=1S/C20H18FN3O5/c1-29-15-10-11(6-7-14(15)25)8-9-22-19(27)16-17(26)20(28)24-18(23-16)12-4-2-3-5-13(12)21/h2-7,10,25-26H,8-9H2,1H3,(H,22,27)(H,23,24,28)
定義日:2020-11-10
最終更新日:2021-11-05
公開日:2021-11-10
識別子（ID）:2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
WTM
WTM
表記:2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide
組成式:C19 H17 F N4 O4
SMILES:C=1(NC(=O)C(=C(N=1)C(=O)NCCc2cc(OC)ncc2)O)c3ccccc3F
InChi:InChI=1S/C19H17FN4O4/c1-28-14-10-11(6-8-21-14)7-9-22-18(26)15-16(25)19(27)24-17(23-15)12-4-2-3-5-13(12)20/h2-6,8,10,25H,7,9H2,1H3,(H,22,26)(H,23,24,27)
定義日:2020-11-10
最終更新日:2021-11-05
公開日:2021-11-10
識別子（ID）:2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide
UED
UED
表記:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C21 H31 N3 O5
SMILES:C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2
InChi:InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
別名:GC373 bound form, GC376 bound form
定義日:2020-05-11
最終更新日:2021-11-02
公開日:2020-05-20
識別子（ID）:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
ZRP
ZRP
表記:4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
組成式:C23 H28 N4 O
SMILES:CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)NCCCCCC
InChi:InChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27)
定義日:2021-05-25
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
ZRV
ZRV
表記:4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
組成式:C30 H28 F2 N4 O2
SMILES:CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc3)c(cnc2cc1F)C(=O)NC1CC1
InChi:InChI=1S/C30H28F2N4O2/c1-2-3-13-33-29(37)21-12-9-18(14-25(21)31)22-15-23-27(16-26(22)32)34-17-24(30(38)36-20-10-11-20)28(23)35-19-7-5-4-6-8-19/h4-9,12,14-17,20H,2-3,10-11,13H2,1H3,(H,33,37)(H,34,35)(H,36,38)
定義日:2021-05-27
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
1I8
1I8
表記:(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
組成式:C33 H41 Cl N6 O2
SMILES:Clc1ccc(C[CH](NC(=O)[CH]2Cc3ccccc3CN2)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6)cc1
InChi:InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
定義日:2021-06-23
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(3~{R})-~{N}-[(2~{R})-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
1J0
1J0
表記:Collinone
組成式:C27 H18 O12
SMILES:COC1=CC(=O)C2=C(C1=O)C(=O)C3=C(O)[C]4(O)c5c(O)c6C(=O)OC(=Cc6cc5CC[C]4(O)C(=C3C2=O)O)C
InChi:InChI=1S/C27H18O12/c1-8-5-10-6-9-3-4-26(36)23(33)16-17(24(34)27(26,37)18(9)22(32)13(10)25(35)39-8)21(31)15-14(20(16)30)11(28)7-12(38-2)19(15)29/h5-7,32-34,36-37H,3-4H2,1-2H3/t26-,27+/m0/s1
別名:135469160
定義日:2021-06-12
最終更新日:2021-10-29
公開日:2021-11-03
1JW
1JW
表記:(2S)-hexane-1,2,6-triol
組成式:C6 H14 O3
SMILES:OCCCC[CH](O)CO
InChi:InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1
別名:(-)-1,2,6-Hexanetriol
定義日:2021-06-12
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(2~{S})-hexane-1,2,6-triol
0IM
0IM
表記:1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
組成式:C11 H7 F3 N2 O2
SMILES:OC(=O)c1cnn(c2ccccc2)c1C(F)(F)F
InChi:InChI=1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18)
定義日:2021-06-07
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
0JI
0JI
表記:5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
組成式:C10 H9 N3 O2
SMILES:Cc1n(nnc1C(O)=O)c2ccccc2
InChi:InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
定義日:2021-06-10
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
86C
86C
表記:4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide
組成式:C21 H17 Cl F N5 O2 S
SMILES:Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC3COC3)c2nc1C
InChi:InChI=1S/C21H17ClFN5O2S/c1-11-17(27-19-15(22)3-2-4-16(19)23)5-12-7-24-28(20(12)25-11)14-6-18(31-10-14)21(29)26-13-8-30-9-13/h2-7,10,13,27H,8-9H2,1H3,(H,26,29)
定義日:2021-09-08
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide
89N
89N
表記:(2E)-but-2-ene-1,4-diol
組成式:C4 H8 O2
SMILES:OCC=CCO
InChi:InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+
定義日:2021-09-14
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(2E)-but-2-ene-1,4-diol
8DN
8DN
表記:1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole
組成式:C11 H13 N3
SMILES:Cc1cc(C)cc(c1)n1cc(C)nn1
InChi:InChI=1S/C11H13N3/c1-8-4-9(2)6-11(5-8)14-7-10(3)12-13-14/h4-7H,1-3H3
定義日:2021-09-14
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole
QGJ
QGJ
表記:1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
組成式:C19 H24 N3 O9 P
SMILES:C1(CC(C(COP(=O)(O)O)O1)O)N2C(=O)NC(C(=C2)C(NCCCc3ccccc3)=O)=O
InChi:InChI=1S/C19H24N3O9P/c23-14-9-16(31-15(14)11-30-32(27,28)29)22-10-13(18(25)21-19(22)26)17(24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10,14-16,23H,4,7-9,11H2,(H,20,24)(H,21,25,26)(H2,27,28,29)/t14-,15-,16-/m1/s1
定義日:2019-10-28
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
79I
79I
表記:3-[(2S)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one
組成式:C7 H13 N3 O
SMILES:N[CH](C[CH]1CCNC1=O)C=N
InChi:InChI=1S/C7H13N3O/c8-4-6(9)3-5-1-2-10-7(5)11/h4-6,8H,1-3,9H2,(H,10,11)/b8-4+/t5-,6-/m0/s1
定義日:2021-09-28
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(3~{S})-3-[(2~{S})-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one
GZM
GZM
表記:4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
組成式:C24 H28 Cl2 N2 O3
SMILES:O=C(COC)N1CCC(Cc2ccc(cc2)c2cc(Cl)cc(Cl)c2)(CC1)C(=O)NCC
InChi:InChI=1S/C24H28Cl2N2O3/c1-3-27-23(30)24(8-10-28(11-9-24)22(29)16-31-2)15-17-4-6-18(7-5-17)19-12-20(25)14-21(26)13-19/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,27,30)
定義日:2018-06-08
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
3I3
3I3
表記:4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
組成式:C19 H20 F3 N5 O2 S
SMILES:CS(=O)(=O)c1cccc2c1[NH]cc2c1nc(ncc1C(F)(F)F)NC1CCCNC1
InChi:InChI=1S/C19H20F3N5O2S/c1-30(28,29)15-6-2-5-12-13(9-24-17(12)15)16-14(19(20,21)22)10-25-18(27-16)26-11-4-3-7-23-8-11/h2,5-6,9-11,23-24H,3-4,7-8H2,1H3,(H,25,26,27)/t11-/m0/s1
定義日:2021-07-05
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
5H0
5H0
表記:(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
組成式:C22 H26 N2 O4 S
SMILES:CN(C)CCN1c2ccccc2SC(C(OC(C)=O)C1=O)c1ccc(OC)cc1
InChi:InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1
定義日:2021-07-19
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
5I4
5I4
表記:~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
組成式:C23 H19 F3 N6 O3 S2
SMILES:Nc1nccc(n1)c2sc(nc2c3cccc(N[S](=O)(=O)c4cc(F)ccc4F)c3F)[CH]5COCCN5
InChi:InChI=1S/C23H19F3N6O3S2/c24-12-4-5-14(25)18(10-12)37(33,34)32-15-3-1-2-13(19(15)26)20-21(16-6-7-29-23(27)30-16)36-22(31-20)17-11-35-9-8-28-17/h1-7,10,17,28,32H,8-9,11H2,(H2,27,29,30)/t17-/m0/s1
定義日:2021-07-09
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
RR5
RR5
表記:(2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid
組成式:C19 H24 Cl2 N2 O5 S
SMILES:CC[CH]1CN([CH](C)C(O)=O)C(=O)[CH]2CCC[CH]1N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3
InChi:InChI=1S/C19H24Cl2N2O5S/c1-3-12-10-22(11(2)19(25)26)18(24)17-6-4-5-16(12)23(17)29(27,28)15-8-13(20)7-14(21)9-15/h7-9,11-12,16-17H,3-6,10H2,1-2H3,(H,25,26)/t11-,12-,16+,17-/m0/s1
別名:(2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid
定義日:2020-10-20
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid
SK5
SK5
表記:(E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
組成式:C16 H11 F3 O
SMILES:FC(F)(F)c1ccc(cc1)C(=O)C=Cc2ccccc2
InChi:InChI=1S/C16H11F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
別名:(~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
定義日:2020-11-23
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
SKB
SKB
表記:(E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
組成式:C16 H11 F3 O
SMILES:FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccccc2
InChi:InChI=1S/C16H11F3O/c17-16(18,19)14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+
別名:(~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
定義日:2020-11-23
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
98C
98C
表記:N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
組成式:C18 H22 N2 O3
SMILES:COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1
InChi:InChI=1S/C18H22N2O3/c1-22-16-7-3-14(4-8-16)11-19-13-18(21)20-12-15-5-9-17(23-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21)
定義日:2021-10-05
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
6I7
6I7
表記:5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
組成式:C25 H29 Cl N2 O2
SMILES:COc1ccccc1n2nc(cc2c3ccc(Cl)cc3)C4CC(C)(C)OC(C)(C)C4
InChi:InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3
定義日:2021-09-14
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
6IX
6IX
表記:(2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide
組成式:C38 H53 N3 O3
SMILES:CC(C)C[CH](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[CH](Cc2ccc(OCc3ccccc3)cc2)C(=O)NC(C)(C)C
InChi:InChI=1S/C38H53N3O3/c1-27(2)23-34(41(9)25-29-15-19-31(20-16-29)37(3,4)5)36(43)39-33(35(42)40-38(6,7)8)24-28-17-21-32(22-18-28)44-26-30-13-11-10-12-14-30/h10-22,27,33-34H,23-26H2,1-9H3,(H,39,43)(H,40,42)/t33-,34-/m0/s1
定義日:2021-09-21
最終更新日:2021-10-29
公開日:2021-11-03
識別子（ID）:(2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide

222926

件を2024-07-24に公開中

PDB statisticsPDBj update infoContact PDBjnumon