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
LQL
LQL
表記:(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
組成式:C22 H20 Cl2 N4 O2 S
SMILES:Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)c4cccnc4
InChi:InChI=1S/C22H20Cl2N4O2S/c23-18-6-5-16(11-19(18)24)28-9-8-27(22(30)15-3-1-7-25-12-15)14-20(28)21(29)26-13-17-4-2-10-31-17/h1-7,10-12,20H,8-9,13-14H2,(H,26,29)/t20-/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})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
80S
80S
表記:2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
組成式:C22 H17 Cl2 N3 O4 S
SMILES:C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4
InChi:InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m0/s1
定義日:2021-09-21
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{S})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
81N
81N
表記:2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
組成式:C22 H17 Cl2 N3 O4 S
SMILES:C[CH](Oc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O)c4ccccc4
InChi:InChI=1S/C22H17Cl2N3O4S/c1-10-16(23)17(24)19(25-10)20(28)27-22-26-18-14(8-13(21(29)30)9-15(18)32-22)31-11(2)12-6-4-3-5-7-12/h3-9,11,25H,1-2H3,(H,29,30)(H,26,27,28)/t11-/m1/s1
定義日:2021-09-26
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-[(1~{R})-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid
7I4
7I4
表記:1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
組成式:C23 H24 F N3 O3
SMILES:CC(C)Cc1ccc(cc1)c2onc(n2)c3ccc(CN4CC(C4)C(O)=O)c(F)c3
InChi:InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)
定義日:2021-10-01
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
7IJ
7IJ
表記:3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one
組成式:C21 H19 N O5
SMILES:Oc1ccc2c(OC(=O)c3c2oc4ccc(O)c(CN5CCCCC5)c34)c1
InChi:InChI=1S/C21H19NO5/c23-12-4-5-13-17(10-12)27-21(25)19-18-14(11-22-8-2-1-3-9-22)15(24)6-7-16(18)26-20(13)19/h4-7,10,23-24H,1-3,8-9,11H2
定義日:2021-10-05
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one
FWR
FWR
表記:1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
組成式:C15 H21 N3 O S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2
InChi:InChI=1S/C15H21N3OS/c1-4-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-5-7-16/h8,17H,4-7,16H2,1-3H3
定義日:2022-01-26
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
G0I
G0I
表記:1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
組成式:C17 H24 N4 O S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCNCC3)n2
InChi:InChI=1S/C17H24N4OS/c1-4-13-16(12(3)22)11(2)19-17(13)14-10-23-15(20-14)9-21-7-5-18-6-8-21/h10,18-19H,4-9H2,1-3H3
定義日:2022-01-26
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
G1U
G1U
表記:1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
組成式:C18 H26 N4 O S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCC(N)CC3)n2
InChi:InChI=1S/C18H26N4OS/c1-4-14-17(12(3)23)11(2)20-18(14)15-10-24-16(21-15)9-22-7-5-13(19)6-8-22/h10,13,20H,4-9,19H2,1-3H3
定義日:2022-01-26
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
G2U
G2U
表記:3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
組成式:C15 H16 N4 O3 S
SMILES:CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2
InChi:InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22)
定義日:2022-01-26
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
GEJ
GEJ
表記:(2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide
組成式:C22 H28 N6 O3 S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCc4oncc4
InChi:InChI=1S/C22H28N6O3S/c1-4-16-19(14(3)29)13(2)26-20(16)17-12-32-22(27-17)28-10-9-23-11-18(28)21(30)24-7-5-15-6-8-25-31-15/h6,8,12,18,23,26H,4-5,7,9-11H2,1-3H3,(H,24,30)/t18-/m1/s1
定義日:2022-02-02
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide
GGQ
GGQ
表記:1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone
組成式:C17 H21 F3 N4 O S
SMILES:CC(=O)c1c(C)[nH]c(c1CCC(F)(F)F)c2csc(n2)N3CCNCC3
InChi:InChI=1S/C17H21F3N4OS/c1-10-14(11(2)25)12(3-4-17(18,19)20)15(22-10)13-9-26-16(23-13)24-7-5-21-6-8-24/h9,21-22H,3-8H2,1-2H3
定義日:2022-02-02
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone
GHL
GHL
表記:(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
組成式:C22 H33 N5 O2 S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCC(C)(C)C
InChi:InChI=1S/C22H33N5O2S/c1-7-15-18(14(3)28)13(2)25-19(15)16-11-30-21(26-16)27-9-8-23-10-17(27)20(29)24-12-22(4,5)6/h11,17,23,25H,7-10,12H2,1-6H3,(H,24,29)/t17-/m1/s1
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
GI0
GI0
表記:3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one
組成式:C21 H26 N6 O S
SMILES:Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCN(CC4)Cc5n[nH]cc5C
InChi:InChI=1S/C21H26N6OS/c1-13-10-22-25-16(13)11-26-6-8-27(9-7-26)21-24-17(12-29-21)20-15-4-3-5-18(28)19(15)14(2)23-20/h10,12,23H,3-9,11H2,1-2H3,(H,22,25)
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one
GI7
GI7
表記:1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine
組成式:C13 H19 N5 O
SMILES:CC(=O)N1CCN(CC1)c2ccc(NC(N)=N)cc2
InChi:InChI=1S/C13H19N5O/c1-10(19)17-6-8-18(9-7-17)12-4-2-11(3-5-12)16-13(14)15/h2-5H,6-9H2,1H3,(H4,14,15,16)
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine
GIE
GIE
表記:1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
組成式:C16 H22 N4 O S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3
InChi:InChI=1S/C16H22N4OS/c1-4-12-14(11(3)21)10(2)18-15(12)13-9-22-16(19-13)20-7-5-17-6-8-20/h9,17-18H,4-8H2,1-3H3
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
GIJ
GIJ
表記:(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide
組成式:C20 H26 F3 N5 O2 S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F
InChi:InChI=1S/C20H26F3N5O2S/c1-4-13-16(12(3)29)11(2)26-17(13)14-10-31-19(27-14)28-8-7-24-9-15(28)18(30)25-6-5-20(21,22)23/h10,15,24,26H,4-9H2,1-3H3,(H,25,30)/t15-/m1/s1
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide
GIU
GIU
表記:~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
組成式:C13 H15 N3 O2 S
SMILES:O=[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23
InChi:InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
GIZ
GIZ
表記:1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone
組成式:C24 H37 N5 O S
SMILES:CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC
InChi:InChI=1S/C24H37N5OS/c1-5-20-22(18(4)30)17(3)25-23(20)21-16-31-24(26-21)29-13-11-28(12-14-29)15-19-7-9-27(6-2)10-8-19/h16,19,25H,5-15H2,1-4H3
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone
GJ4
GJ4
表記:(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide
組成式:C21 H31 N5 O3 S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCCCO
InChi:InChI=1S/C21H31N5O3S/c1-4-15-18(14(3)28)13(2)24-19(15)16-12-30-21(25-16)26-9-8-22-11-17(26)20(29)23-7-5-6-10-27/h12,17,22,24,27H,4-11H2,1-3H3,(H,23,29)/t17-/m1/s1
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide
GJC
GJC
表記:2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide
組成式:C21 H28 N8 O2 S
SMILES:CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCN(CC3)Cc4cn(CC(N)=O)nn4
InChi:InChI=1S/C21H28N8O2S/c1-4-16-19(14(3)30)13(2)23-20(16)17-12-32-21(24-17)28-7-5-27(6-8-28)9-15-10-29(26-25-15)11-18(22)31/h10,12,23H,4-9,11H2,1-3H3,(H2,22,31)
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide
GJI
GJI
表記:3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one
組成式:C16 H20 N4 O S
SMILES:Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4
InChi:InChI=1S/C16H20N4OS/c1-10-14-11(3-2-4-13(14)21)15(18-10)12-9-22-16(19-12)20-7-5-17-6-8-20/h9,17-18H,2-8H2,1H3
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one
GKI
GKI
表記:1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
組成式:C19 H28 N4 O S
SMILES:CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3
InChi:InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
GQF
GQF
表記:1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
組成式:C19 H26 N4 O S
SMILES:CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4
InChi:InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
GQX
GQX
表記:2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
組成式:C13 H15 N5 O S
SMILES:Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3
InChi:InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18)
定義日:2022-02-03
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
8FI
8FI
表記:2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
組成式:C17 H14 F3 N3 O2
SMILES:FC(F)(F)c1ccc(NCCc2[NH]nc3ccccc23)c(c1)C(=O)O
InChi:InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-6-13(12(9-10)16(24)25)21-8-7-15-11-3-1-2-4-14(11)22-23-15/h1-6,9,21H,7-8H2,(H,22,23)(H,24,25)
定義日:2021-09-16
最終更新日:2022-09-23
公開日:2022-09-28
識別子（ID）:2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid

243531

件を2025-10-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon