Loading
PDBj
メニューPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
A1I48
A1I48
表記:(2~{S},3~{R})-2-azanyl-3-[(1~{R},2~{S})-2-azanyl-4-methyl-1-oxidanyl-pentoxy]butanal
組成式:C10 H22 N2 O4
SMILES:CC(C)C[CH](N)[CH](O)O[CH](C)[CH](N)C(O)=O
InChi:InChI=1S/C10H22N2O4/c1-5(2)4-7(11)10(15)16-6(3)8(12)9(13)14/h5-8,10,15H,4,11-12H2,1-3H3,(H,13,14)/t6-,7+,8+,10-/m1/s1
定義日:2025-03-03
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):(2~{S},3~{R})-2-azanyl-3-[(1~{R},2~{S})-2-azanyl-4-methyl-1-oxidanyl-pentoxy]butanoic acid
A1I49
A1I49
表記:(2~{S},3~{R})-2-azanyl-3-[(2~{S})-2-azanyl-4-methyl-1,1-bis(oxidanyl)pentoxy]butanal
組成式:C10 H22 N2 O4
SMILES:CC(C)C[CH](N)C(O)(O)O[CH](C)[CH](N)C=O
InChi:InChI=1S/C10H22N2O4/c1-6(2)4-9(12)10(14,15)16-7(3)8(11)5-13/h5-9,14-15H,4,11-12H2,1-3H3/t7-,8-,9+/m1/s1
定義日:2025-03-03
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):(2~{S},3~{R})-2-azanyl-3-[(2~{S})-2-azanyl-4-methyl-1,1-bis(oxidanyl)pentoxy]butanal
A1I4Y
A1I4Y
表記:(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(furan-2-yl)propanoyl]-4-cyclohexyl-~{N}-[(2~{S})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]pyrrolidine-2-carboxamide
組成式:C27 H37 N5 O4
SMILES:CNC(=O)[CH](Cc1ccncc1)NC(=O)[CH]2C[CH](CN2C(=O)C[CH](N)c3occc3)C4CCCCC4
InChi:InChI=1S/C27H37N5O4/c1-29-26(34)22(14-18-9-11-30-12-10-18)31-27(35)23-15-20(19-6-3-2-4-7-19)17-32(23)25(33)16-21(28)24-8-5-13-36-24/h5,8-13,19-23H,2-4,6-7,14-17,28H2,1H3,(H,29,34)(H,31,35)/t20-,21+,22+,23+/m1/s1
定義日:2025-02-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(furan-2-yl)propanoyl]-4-cyclohexyl-~{N}-[(2~{S})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]pyrrolidine-2-carboxamide
A1I4Z
A1I4Z
表記:4-[[[4-imidazol-1-yl-3-[1-[(4-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]phenyl]methylamino]methyl]-~{N}-methyl-benzamide
組成式:C31 H32 N6 O2
SMILES:CNC(=O)c1ccc(CNCc2ccc(n3ccnc3)c(c2)c4cn(Cc5ccc(OC)cc5)nc4C)cc1
InChi:InChI=1S/C31H32N6O2/c1-22-29(20-37(35-22)19-24-6-11-27(39-3)12-7-24)28-16-25(8-13-30(28)36-15-14-33-21-36)18-34-17-23-4-9-26(10-5-23)31(38)32-2/h4-16,20-21,34H,17-19H2,1-3H3,(H,32,38)
定義日:2025-02-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[[[4-imidazol-1-yl-3-[1-[(4-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]phenyl]methylamino]methyl]-~{N}-methyl-benzamide
A1IPQ
A1IPQ
表記:4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-(trifluoromethyloxy)indazol-3-yl]-3-phenylmethoxy-benzoic acid
組成式:C30 H17 Cl F6 N2 O5
SMILES:OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(OC(F)(F)F)cc35
InChi:InChI=1S/C30H17ClF6N2O5/c31-22-8-4-7-21(29(32,33)34)25(22)27(40)39-23-12-10-18(44-30(35,36)37)14-20(23)26(38-39)19-11-9-17(28(41)42)13-24(19)43-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,41,42)
定義日:2024-09-26
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-(trifluoromethyloxy)indazol-3-yl]-3-phenylmethoxy-benzoic acid
A1IPR
A1IPR
表記:4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-6-(trifluoromethyl)indazol-3-yl]-3-phenylmethoxy-benzoic acid
組成式:C30 H17 Cl F6 N2 O4
SMILES:OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5cc(ccc35)C(F)(F)F
InChi:InChI=1S/C30H17ClF6N2O4/c31-22-8-4-7-21(30(35,36)37)25(22)27(40)39-23-14-18(29(32,33)34)10-12-19(23)26(38-39)20-11-9-17(28(41)42)13-24(20)43-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,41,42)
定義日:2024-09-26
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-6-(trifluoromethyl)indazol-3-yl]-3-phenylmethoxy-benzoic acid
A1IPU
A1IPU
表記:3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid
組成式:C30 H17 Cl2 F3 N2 O6
SMILES:OC(=O)c1ccc(c(OCc2ccc3[oH]coc3c2)c1)c4nn(C(=O)c5c(Cl)cccc5C(F)(F)F)c6ccc(Cl)cc46
InChi:InChI=1S/C30H17Cl2F3N2O6/c31-17-6-8-22-19(12-17)27(36-37(22)28(38)26-20(30(33,34)35)2-1-3-21(26)32)18-7-5-16(29(39)40)11-24(18)41-13-15-4-9-23-25(10-15)43-14-42-23/h1-12,14,42H,13H2,(H,39,40)
定義日:2024-09-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid
A1IPV
A1IPV
表記:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(trifluoromethyloxy)phenyl]methoxy]benzoic acid
組成式:C30 H16 Cl2 F6 N2 O5
SMILES:OC(=O)c1ccc(c(OCc2cccc(OC(F)(F)F)c2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
InChi:InChI=1S/C30H16Cl2F6N2O5/c31-17-8-10-23-20(13-17)26(39-40(23)27(41)25-21(29(33,34)35)5-2-6-22(25)32)19-9-7-16(28(42)43)12-24(19)44-14-15-3-1-4-18(11-15)45-30(36,37)38/h1-13H,14H2,(H,42,43)
定義日:2024-09-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(trifluoromethyloxy)phenyl]methoxy]benzoic acid
A1IPY
A1IPY
表記:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(phenoxymethyl)benzoic acid
組成式:C29 H17 Cl2 F3 N2 O4
SMILES:OC(=O)c1ccc(c(COc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
InChi:InChI=1S/C29H17Cl2F3N2O4/c30-18-10-12-24-21(14-18)26(35-36(24)27(37)25-22(29(32,33)34)7-4-8-23(25)31)20-11-9-16(28(38)39)13-17(20)15-40-19-5-2-1-3-6-19/h1-14H,15H2,(H,38,39)
定義日:2024-09-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(phenoxymethyl)benzoic acid
A1IPZ
A1IPZ
表記:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(oxan-4-ylmethoxy)benzoic acid
組成式:C28 H21 Cl2 F3 N2 O5
SMILES:OC(=O)c1ccc(c(OCC2CCOCC2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
InChi:InChI=1S/C28H21Cl2F3N2O5/c29-17-5-7-22-19(13-17)25(34-35(22)26(36)24-20(28(31,32)33)2-1-3-21(24)30)18-6-4-16(27(37)38)12-23(18)40-14-15-8-10-39-11-9-15/h1-7,12-13,15H,8-11,14H2,(H,37,38)
定義日:2024-09-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(oxan-4-ylmethoxy)benzoic acid
A1IQA
A1IQA
表記:4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-cyano-indazol-3-yl]-3-phenylmethoxy-benzoic acid
組成式:C30 H17 Cl F3 N3 O4
SMILES:OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(cc35)C#N
InChi:InChI=1S/C30H17ClF3N3O4/c31-23-8-4-7-22(30(32,33)34)26(23)28(38)37-24-12-9-18(15-35)13-21(24)27(36-37)20-11-10-19(29(39)40)14-25(20)41-16-17-5-2-1-3-6-17/h1-14H,16H2,(H,39,40)
定義日:2024-09-30
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-cyano-indazol-3-yl]-3-phenylmethoxy-benzoic acid
A1IQB
A1IQB
表記:4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
組成式:C29 H18 Cl F3 N2 O4
SMILES:OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4C(F)(F)F)c5ccc(Cl)cc35
InChi:InChI=1S/C29H18ClF3N2O4/c30-19-11-13-24-22(15-19)26(34-35(24)27(36)20-8-4-5-9-23(20)29(31,32)33)21-12-10-18(28(37)38)14-25(21)39-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,37,38)
定義日:2024-09-30
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid
A1IQE
A1IQE
表記:4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonylindazol-3-yl]-3-phenylmethoxy-benzoic acid
組成式:C29 H18 Cl F3 N2 O4
SMILES:OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccccc35
InChi:InChI=1S/C29H18ClF3N2O4/c30-22-11-6-10-21(29(31,32)33)25(22)27(36)35-23-12-5-4-9-19(23)26(34-35)20-14-13-18(28(37)38)15-24(20)39-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,37,38)
定義日:2024-09-30
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonylindazol-3-yl]-3-phenylmethoxy-benzoic acid
A1IQF
A1IQF
表記:4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(2-phenylethoxy)benzoic acid
組成式:C30 H19 Cl2 F3 N2 O4
SMILES:OC(=O)c1ccc(c(OCCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35
InChi:InChI=1S/C30H19Cl2F3N2O4/c31-19-10-12-24-21(16-19)27(36-37(24)28(38)26-22(30(33,34)35)7-4-8-23(26)32)20-11-9-18(29(39)40)15-25(20)41-14-13-17-5-2-1-3-6-17/h1-12,15-16H,13-14H2,(H,39,40)
定義日:2024-09-30
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(2-phenylethoxy)benzoic acid
A1L4S
A1L4S
表記:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propoxy-quinoxalin-2-one
組成式:C20 H22 N2 O5
SMILES:CCCOC1=Nc2c(C)c(ccc2N(C)C1=O)C(=O)C3=C(O)CCCC3=O
InChi:InChI=1S/C20H22N2O5/c1-4-10-27-19-20(26)22(3)13-9-8-12(11(2)17(13)21-19)18(25)16-14(23)6-5-7-15(16)24/h8-9,23H,4-7,10H2,1-3H3
定義日:2024-10-03
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propoxy-quinoxalin-2-one
A1L5P
A1L5P
表記:3-[1-(5,6,7,8-tetrahydro-4~{H}-cyclohepta[b]thiophen-2-ylcarbonyl)piperidin-4-yl]-1~{H}-benzimidazol-2-one
組成式:C22 H25 N3 O2 S
SMILES:O=C1Nc2ccccc2N1C3CCN(CC3)C(=O)c4sc5CCCCCc5c4
InChi:InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27)
定義日:2024-11-08
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):3-[1-(5,6,7,8-tetrahydro-4~{H}-cyclohepta[b]thiophen-2-ylcarbonyl)piperidin-4-yl]-1~{H}-benzimidazol-2-one
A1L5Q
A1L5Q
表記:ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
組成式:C22 H23 F3 N4 O3
SMILES:CCOC(=O)N1CCC(CC1)c2cc(O)n3nc(C)c(c4ccc(cc4)C(F)(F)F)c3n2
InChi:InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3
定義日:2024-11-08
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
A1L8R
A1L8R
表記:N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine
組成式:C36 H38 N6
SMILES:C(CNc1c2ccccc2nc3ccccc13)CN4CCN(CCCNc5c6ccccc6nc7ccccc57)CC4
InChi:InChI=1S/C36H38N6/c1-5-15-31-27(11-1)35(28-12-2-6-16-32(28)39-31)37-19-9-21-41-23-25-42(26-24-41)22-10-20-38-36-29-13-3-7-17-33(29)40-34-18-8-4-14-30(34)36/h1-8,11-18H,9-10,19-26H2,(H,37,39)(H,38,40)
定義日:2025-03-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):~{N}-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine
A1MAF
A1MAF
表記:(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
組成式:C10 H8 B F O4
SMILES:OB1Oc2c(ccc(F)c2C(O)=O)[CH]3C[CH]13
InChi:InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m0/s1
別名:(1R,2S)-Xeruborbactam disodium
定義日:2025-06-17
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
A1MBC
A1MBC
表記:3-(1-adamantyl)-6,7,8,9-tetrahydro-5~{H}-[1,2,4]triazolo[4,3-a]azepine
組成式:C17 H25 N3
SMILES:C1CCn2c(CC1)nnc2C34CC5CC(CC(C5)C3)C4
InChi:InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2/t12-,13+,14-,17-
別名:MERCK-544
定義日:2025-08-06
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):3-(1-adamantyl)-6,7,8,9-tetrahydro-5~{H}-[1,2,4]triazolo[4,3-a]azepine
A1B7R
A1B7R
表記:(4M)-4-[3-(5-methylpyridin-2-yl)-1H-pyrazol-4-yl]quinoline
組成式:C18 H14 N4
SMILES:Cc1cnc(cc1)c1n[NH]cc1c1ccnc2ccccc21
InChi:InChI=1S/C18H14N4/c1-12-6-7-17(20-10-12)18-15(11-21-22-18)13-8-9-19-16-5-3-2-4-14(13)16/h2-11H,1H3,(H,21,22)
定義日:2025-04-04
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):(4M)-4-[3-(5-methylpyridin-2-yl)-1H-pyrazol-4-yl]quinoline
A1BNV
A1BNV
表記:N-[2-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)phenyl]-Nalpha-(2-fluorobenzoyl)-D-phenylalaninamide
組成式:C26 H26 F N3 O4 S
SMILES:O=S1(=O)CCN(CC1)c1ccccc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1F
InChi:InChI=1S/C26H26FN3O4S/c27-21-11-5-4-10-20(21)25(31)29-23(18-19-8-2-1-3-9-19)26(32)28-22-12-6-7-13-24(22)30-14-16-35(33,34)17-15-30/h1-13,23H,14-18H2,(H,28,32)(H,29,31)/t23-/m1/s1
定義日:2025-01-09
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):N-[2-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)phenyl]-Nalpha-(2-fluorobenzoyl)-D-phenylalaninamide
A1BYD
A1BYD
表記:Oritinib, bound form
組成式:C31 H39 N7 O2
SMILES:CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1c2ccccc2n2CCCCc12
InChi:InChI=1S/C31H39N7O2/c1-6-29(39)33-23-19-24(28(40-5)20-27(23)37(4)18-17-36(2)3)35-31-32-15-14-22(34-31)30-21-11-7-8-12-25(21)38-16-10-9-13-26(30)38/h7-8,11-12,14-15,19-20H,6,9-10,13,16-18H2,1-5H3,(H,33,39)(H,32,34,35)
定義日:2025-02-26
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(5R)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pyrimidin-2-yl}amino)phenyl]propanamide
A1BYO
A1BYO
表記:Limertinib. bound form
組成式:C29 H34 Cl N7 O2
SMILES:CN(C)CCN(C)c1cc(OC)c(Nc2nc(Nc3cc4ccccc4cc3)c(Cl)cn2)cc1NC(=O)CC
InChi:InChI=1S/C29H34ClN7O2/c1-6-27(38)33-23-16-24(26(39-5)17-25(23)37(4)14-13-36(2)3)34-29-31-18-22(30)28(35-29)32-21-12-11-19-9-7-8-10-20(19)15-21/h7-12,15-18H,6,13-14H2,1-5H3,(H,33,38)(H2,31,32,34,35)
定義日:2025-02-27
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):N-[5-({5-chloro-4-[(naphthalen-2-yl)amino]pyrimidin-2-yl}amino)-2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxyphenyl]propanamide
A1BYS
A1BYS
表記:N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(4S)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)phenyl]propanamide
組成式:C27 H34 N8 O2
SMILES:CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1cnc2c(C)cccn12
InChi:InChI=1S/C27H34N8O2/c1-7-25(36)30-20-15-21(24(37-6)16-22(20)34(5)14-13-33(3)4)32-27-28-11-10-19(31-27)23-17-29-26-18(2)9-8-12-35(23)26/h8-12,15-17H,7,13-14H2,1-6H3,(H,30,36)(H,28,31,32)
定義日:2025-02-28
最終更新日:2025-10-03
公開日:2025-10-08
識別子(ID):N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(4S)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)phenyl]propanamide

243531

件を2025-10-22に公開中

PDB statisticsPDBj update infoContact PDBjnumon