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
VXY
VXY
表記:2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate
組成式:C20 H25 F3 N8 O4
SMILES:c1c(cnc(n1)N)c3c(c(nc(N2CCOCC2)n3)NC4(CCN(C(OCC(F)F)=O)C4)CO)F
InChi:InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
定義日:2020-09-21
最終更新日:2021-01-01
公開日:2021-01-06
識別子（ID）:2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate
VY1
VY1
表記:(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide
組成式:C19 H27 N9 O3 S
SMILES:c1c(cnc(n1)N)c5c2c(N(CC2)C3CCN(C3)S(NC)(=O)=O)nc(N4CCOCC4)n5
InChi:InChI=1S/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/m0/s1
定義日:2020-09-21
最終更新日:2021-01-01
公開日:2021-01-06
識別子（ID）:(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide
VY4
VY4
表記:tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
組成式:C24 H34 N8 O3
SMILES:c1c(cnc(n1)N)c5c2c(N(CC2)C3(CCN(C(OC(C)(C)C)=O)C3)C)nc(N4CCOCC4)n5
InChi:InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1
定義日:2020-09-21
最終更新日:2021-01-01
公開日:2021-01-06
識別子（ID）:tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
VYP
VYP
表記:2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine
組成式:C12 H14 N6 O
SMILES:c2cnc(N1CCOCC1)nc2c3cnc(nc3)N
InChi:InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)
定義日:2020-09-22
最終更新日:2021-01-01
公開日:2021-01-06
識別子（ID）:2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine
2JP
2JP
表記:4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
組成式:C13 H12 N2 O3
SMILES:O=C(O)CCC(=O)Nc2ncc1ccccc1c2
InChi:InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
定義日:2013-11-06
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
NWK
NWK
表記:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
組成式:C20 H20 Cl2 N4 O5 S
SMILES:Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl
InChi:InChI=1S/C20H20Cl2N4O5S/c1-10-14(21)15(22)17(23-10)18(27)25-20-24-16-12(8-11(19(28)29)9-13(16)32-20)31-7-4-26-2-5-30-6-3-26/h8-9,23H,2-7H2,1H3,(H,28,29)(H,24,25,27)
定義日:2020-01-02
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
PW8
PW8
表記:4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid
組成式:C13 H11 Br N2 O3
SMILES:OC(=O)CCC(=O)Nc1cc2c(Br)cccc2cn1
InChi:InChI=1S/C13H11BrN2O3/c14-10-3-1-2-8-7-15-11(6-9(8)10)16-12(17)4-5-13(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,15,16,17)
定義日:2020-04-29
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid
QLH
QLH
表記:5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
組成式:C16 H15 F3 N4
SMILES:N[CH]1C[CH](CN(C1)c2ccc(C#N)c3ncccc23)C(F)(F)F
InChi:InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
定義日:2020-06-29
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
W7S
W7S
表記:N-benzylpyrazine-2-carboxamide
組成式:C12 H11 N3 O
SMILES:c2c(CNC(c1cnccn1)=O)cccc2
InChi:InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
定義日:2020-09-29
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:N-benzylpyrazine-2-carboxamide
EDF
EDF
表記:(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
組成式:C23 H25 N5 O
SMILES:CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12
InChi:InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1
定義日:2019-12-13
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
EE9
EE9
表記:(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
組成式:C26 H26 N6 O
SMILES:CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12
InChi:InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1
定義日:2019-12-13
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
EEX
EEX
表記:(1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
組成式:C14 H17 N O3 S
SMILES:C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1
定義日:2019-12-17
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:(1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid
GXO
GXO
表記:[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
組成式:C40 H51 F4 N5 O9 S
SMILES:CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6
InChi:InChI=1S/C40H51F4N5O9S/c1-7-23-16-22(2)10-8-9-11-25-20-39(25,35(52)48-59(54,55)38(5)13-14-38)47-32(50)29-18-26(57-33-27-19-28(41)30(56-6)17-24(27)12-15-45-33)21-49(29)34(51)31(23)46-36(53)58-37(3,4)40(42,43)44/h9,11-12,15,17,19,22-23,25-26,29,31H,7-8,10,13-14,16,18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/b11-9-/t22-,23-,25-,26-,29+,31+,39-/m1/s1
定義日:2020-10-06
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
EKX
EKX
表記:(1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
組成式:C14 H17 N O3 S
SMILES:C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1
定義日:2020-01-09
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:(1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid
WCV
WCV
表記:cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
組成式:C20 H21 N5 O
SMILES:c1nc(NCC#C)nc(c1)Nc2cc3c(cc2)CCCN3C(C4CC4)=O
InChi:InChI=1S/C20H21N5O/c1-2-10-21-20-22-11-9-18(24-20)23-16-8-7-14-4-3-12-25(17(14)13-16)19(26)15-5-6-15/h1,7-9,11,13,15H,3-6,10,12H2,(H2,21,22,23,24)
定義日:2020-10-14
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
VGY
VGY
表記:2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
組成式:C24 H22 Cl F N4 O
SMILES:n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3
InChi:InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1
定義日:2020-08-12
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
VYM
VYM
表記:(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone
組成式:C13 H16 N2 O
SMILES:C(C1CC1)(=O)N3CCCc2ccc(cc23)N
InChi:InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
定義日:2020-09-22
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone
EC0
EC0
表記:7-chloranyl-5-nitro-quinolin-8-ol
組成式:C9 H5 Cl N2 O3
SMILES:Oc1c(Cl)cc(c2cccnc12)[N+]([O-])=O
InChi:InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)5-2-1-3-11-8(5)9(6)13/h1-4,13H
定義日:2019-12-10
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:7-chloranyl-5-nitro-quinolin-8-ol
EC3
EC3
表記:1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
組成式:C14 H13 Cl N2 O2
SMILES:Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13
InChi:InChI=1S/C14H13ClN2O2/c15-11-7-9(8-17-6-2-4-12(17)18)14(19)13-10(11)3-1-5-16-13/h1,3,5,7,19H,2,4,6,8H2
定義日:2019-12-10
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
EC9
EC9
表記:N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
組成式:C16 H14 N4 O2
SMILES:CC(=O)Nc1cc(Nc2ccccn2)c3cccc(O)c3n1
InChi:InChI=1S/C16H14N4O2/c1-10(21)18-15-9-12(19-14-7-2-3-8-17-14)11-5-4-6-13(22)16(11)20-15/h2-9,22H,1H3,(H2,17,18,19,20,21)
定義日:2019-12-10
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:~{N}-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
ECF
ECF
表記:2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
組成式:C12 H9 F N4 O
SMILES:Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1
InChi:InChI=1S/C12H9FN4O/c13-7-3-8-9(17-2-1-15-6-17)5-11(14)16-12(8)10(18)4-7/h1-6,18H,(H2,14,16)
定義日:2019-12-10
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
ECR
ECR
表記:2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
組成式:C12 H9 F N4 O
SMILES:Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1
InChi:InChI=1S/C12H9FN4O/c13-7-1-2-9(18)12-11(7)8(5-10(14)16-12)17-4-3-15-6-17/h1-6,18H,(H2,14,16)
定義日:2019-12-10
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
ECU
ECU
表記:2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
組成式:C12 H9 Br N4 O
SMILES:Nc1cc(n2ccnc2)c3ccc(Br)c(O)c3n1
InChi:InChI=1S/C12H9BrN4O/c13-8-2-1-7-9(17-4-3-15-6-17)5-10(14)16-11(7)12(8)18/h1-6,18H,(H2,14,16)
定義日:2019-12-10
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
L25
L25
表記:~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
組成式:C22 H27 N3 O6 S
SMILES:COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOCC4
InChi:InChI=1S/C22H27N3O6S/c1-14-20-16(5-3-4-6-18(20)26)21(23-14)22(27)24-17-13-15(7-8-19(17)30-2)32(28,29)25-9-11-31-12-10-25/h7-8,13,23H,3-6,9-12H2,1-2H3,(H,24,27)
定義日:2019-07-16
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
RJH
RJH
表記:1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea
組成式:C21 H25 Cl N6 O4
SMILES:COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4
InChi:InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1
定義日:2020-09-30
最終更新日:2020-12-04
公開日:2020-12-09
識別子（ID）:1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon