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
ZOI
ZOI
表記:N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
組成式:C19 H21 N5 O3
SMILES:COC1(CCOC1)c1nc(ccc1)c1cn(C)c2cnc(NC(N)=O)cc21
InChi:InChI=1S/C19H21N5O3/c1-24-10-13(12-8-17(23-18(20)25)21-9-15(12)24)14-4-3-5-16(22-14)19(26-2)6-7-27-11-19/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,23,25)/t19-/m0/s1
定義日:2023-06-29
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
ZOQ
ZOQ
表記:N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide
組成式:C19 H20 N4 O3 S
SMILES:CN(C)S(=O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)C1CC1
InChi:InChI=1S/C19H20N4O3S/c1-23(2)27(25,26)14-5-3-4-13(8-14)16-10-20-17-11-21-18(9-15(16)17)22-19(24)12-6-7-12/h3-5,8-12,20H,6-7H2,1-2H3,(H,21,22,24)
定義日:2023-06-29
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide
WQ6
WQ6
表記:(2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone
組成式:C20 H27 N5 O3 S
SMILES:O=S(C)(=O)N1CCC(Nc2nc3cc(ccc3cn2)C(=O)N2CCCC2C)CC1
InChi:InChI=1S/C20H27N5O3S/c1-14-4-3-9-25(14)19(26)15-5-6-16-13-21-20(23-18(16)12-15)22-17-7-10-24(11-8-17)29(2,27)28/h5-6,12-14,17H,3-4,7-11H2,1-2H3,(H,21,22,23)/t14-/m0/s1
定義日:2022-10-12
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:(2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone
WQK
WQK
表記:N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide
組成式:C22 H25 N5 O3 S
SMILES:CC1CCCN1C(=O)c1cc2nc(Nc3ccc(cc3C)S(=O)(=O)NC)ncc2cc1
InChi:InChI=1S/C22H25N5O3S/c1-14-11-18(31(29,30)23-3)8-9-19(14)25-22-24-13-17-7-6-16(12-20(17)26-22)21(28)27-10-4-5-15(27)2/h6-9,11-13,15,23H,4-5,10H2,1-3H3,(H,24,25,26)/t15-/m0/s1
定義日:2022-10-13
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide
XOQ
XOQ
表記:1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine
組成式:C23 H29 N5 O
SMILES:Cc1nn(C)c(C)c1CCOc1cccnc1c1cccc(c1)N1CCNCC1
InChi:InChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3
定義日:2022-12-03
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine
UIT
UIT
表記:(2R)-2-oxidanyloctanoic acid
組成式:C8 H16 O3
SMILES:CCCCCC[CH](O)C(O)=O
InChi:InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
定義日:2023-06-03
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:(2~{R})-2-oxidanyloctanoic acid
VDG
VDG
表記:(2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid
組成式:C17 H25 N5 O13
SMILES:N[CH]([CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[CH]([CH](O)[CH]1O)N2C=C(CO)C(=O)NC2=O)C(O)=O
InChi:InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1
定義日:2023-07-19
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:(2~{S})-2-[[(2~{S},3~{S},4~{S})-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2~{R},3~{S},4~{R},5~{R})-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid
XRB
XRB
表記:5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile
組成式:C27 H27 N7 O3 S
SMILES:O=S(C)(=O)N1CCN(CC1)c1ccc(Nc2nc(Oc3c(C)cc(C=CC#N)cc3C)ccn2)cc1C#N
InChi:InChI=1S/C27H27N7O3S/c1-19-15-21(5-4-9-28)16-20(2)26(19)37-25-8-10-30-27(32-25)31-23-6-7-24(22(17-23)18-29)33-11-13-34(14-12-33)38(3,35)36/h4-8,10,15-17H,11-14H2,1-3H3,(H,30,31,32)/b5-4+
定義日:2022-12-06
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile
ZVJ
ZVJ
表記:Fenoterol
組成式:C17 H21 N O4
SMILES:Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1
InChi:InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1
定義日:2023-04-06
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl]benzene-1,3-diol
ZWD
ZWD
表記:N-(4-aminobenzoyl)glycine
組成式:C9 H10 N2 O3
SMILES:O=C(NCC(=O)O)c1ccc(N)cc1
InChi:InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
別名:Para-aminohippuric acid
定義日:2023-04-10
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:N-(4-aminobenzoyl)glycine
XU0
XU0
表記:6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine
組成式:C13 H12 Br N7 S
SMILES:Brc1ncn(C)c1C1=CN(CCS1)c1ncnc2nc[NH]c12
InChi:InChI=1S/C13H12BrN7S/c1-20-7-19-11(14)10(20)8-4-21(2-3-22-8)13-9-12(16-5-15-9)17-6-18-13/h4-7H,2-3H2,1H3,(H,15,16,17,18)
定義日:2022-12-07
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine
XDU
XDU
表記:4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
組成式:C13 H7 Cl2 F3 N2 O
SMILES:Oc1nc(/C=C/c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
InChi:InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)/b4-2+
定義日:2022-11-14
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
XE0
XE0
表記:4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol
組成式:C13 H9 Cl2 F3 N2 O
SMILES:Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
InChi:InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21)
定義日:2022-11-14
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol
VJL
VJL
表記:Co-linked Tetra-amido macrocyclic ligand
組成式:C29 H37 Co N7 O6 S
SMILES:CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(C1=O)[Co]234)C(=O)NCCCC[CH]6SC[CH]7NC(=O)N[CH]67
InChi:InChI=1S/C29H41N7O6S.Co/c1-27(2)22(38)35-28(3,4)24(40)31-16-11-10-15(13-17(16)32-25(41)29(5,6)36-23(27)39)21(37)30-12-8-7-9-19-20-18(14-43-19)33-26(42)34-20
定義日:2023-03-09
最終更新日:2023-10-13
公開日:2023-10-18
WIJ
WIJ
表記:N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
組成式:C16 H11 N3 O4 S
SMILES:NC(=O)c1ccccc1NC(=O)c1cc2cc(ccc2s1)[N+]([O-])=O
InChi:InChI=1S/C16H11N3O4S/c17-15(20)11-3-1-2-4-12(11)18-16(21)14-8-9-7-10(19(22)23)5-6-13(9)24-14/h1-8H,(H2,17,20)(H,18,21)
定義日:2023-10-04
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
UCU
UCU
表記:(2R)-2-oxidanylbutanoic acid
組成式:C4 H8 O3
SMILES:CC[CH](O)C(O)=O
InChi:InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
別名:(R)-2-Hydroxybutanoic acid
定義日:2023-05-26
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:(2~{R})-2-oxidanylbutanoic acid
UE3
UE3
表記:(2R)-2-oxidanylpentanoic acid
組成式:C5 H10 O3
SMILES:CCC[CH](O)C(O)=O
InChi:InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
別名:(2R)-2-hydroxypentanoic acid
定義日:2023-05-26
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:(2~{R})-2-oxidanylpentanoic acid
1IE
1IE
表記:~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine
組成式:C19 H16 N2 S
SMILES:CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1
InChi:InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3
定義日:2022-10-13
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine
1HI
1HI
表記:2-[(3S)-piperidin-3-yl]-1,3-benzoxazole
組成式:C12 H14 N2 O
SMILES:C1CNC[CH](C1)c2oc3ccccc3n2
InChi:InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1
定義日:2022-10-13
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:2-[(3~{S})-piperidin-3-yl]-1,3-benzoxazole
KWI
KWI
表記:1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide
組成式:C18 H16 Cl N7 O2
SMILES:Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23
InChi:InChI=1S/C18H16ClN7O2/c1-24-15-12(16(27)20-17-21-22-23-25(17)2)7-5-9-14(15)26(18(24)28)10-11-6-3-4-8-13(11)19/h3-9H,10H2,1-2H3,(H,20,21,23,27)
定義日:2022-10-25
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:1-[(2-chlorophenyl)methyl]-3-methyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide
JYF
JYF
表記:(~{Z})-1,2-bis(chloranyl)ethene
組成式:C2 H2 Cl2
SMILES:ClC=CCl
InChi:InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
定義日:2023-08-10
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:(~{Z})-1,2-bis(chloranyl)ethene
E47
E47
表記:5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde
組成式:C17 H16 N4 O3
SMILES:Oc1ccc(cc1C=O)c2c[nH]c3ncnc(N4CCOCC4)c23
InChi:InChI=1S/C17H16N4O3/c22-9-12-7-11(1-2-14(12)23)13-8-18-16-15(13)17(20-10-19-16)21-3-5-24-6-4-21/h1-2,7-10,23H,3-6H2,(H,18,19,20)
定義日:2023-06-13
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:5-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde
I0U
I0U
表記:5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
組成式:C22 H25 Br N4 O2
SMILES:CN1C=C(C=C(C)C1=O)c2nc3cc(Br)ccc3n2C[CH]4CCCN(C4)C(C)=O
InChi:InChI=1S/C22H25BrN4O2/c1-14-9-17(13-25(3)22(14)29)21-24-19-10-18(23)6-7-20(19)27(21)12-16-5-4-8-26(11-16)15(2)28/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3/t16-/m1/s1
定義日:2023-07-25
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
I0Z
I0Z
表記:1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one
組成式:C29 H39 N5 O2
SMILES:CC(C)N1CCC(CC1)C(=O)N2CCC[CH](C2)Cn3c4ccccc4nc3C5=CN(C)C(=O)C(=C5)C
InChi:InChI=1S/C29H39N5O2/c1-20(2)32-14-11-23(12-15-32)29(36)33-13-7-8-22(17-33)18-34-26-10-6-5-9-25(26)30-27(34)24-16-21(3)28(35)31(4)19-24/h5-6,9-10,16,19-20,22-23H,7-8,11-15,17-18H2,1-4H3/t22-/m1/s1
定義日:2023-07-25
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one
N1K
N1K
表記:N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide
組成式:C15 H19 N7 O
SMILES:CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C
InChi:InChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23)
定義日:2023-01-06
最終更新日:2023-10-13
公開日:2023-10-18
識別子（ID）:~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon