Structure of PDB 7myj Chain D Binding Site BS01

Receptor Information
>7myj Chain D (length=187) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQ
YKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCS
DVSEPGPYHQEPYVCKRFAPPILPPHLLQVILNKDTGISCDPALLPEPNH
VMLNHLYALSIKDGVMVLSATHRYKKKYVTTLLYKPI
Ligand information
Ligand IDZQV
InChIInChI=1S/C28H25ClN4O4/c1-15-3-12-21(13-22(15)27(35)36)37-28-31-24-14-23(29)25(32-26(24)33-28)19-6-4-17(5-7-19)18-8-10-20(11-9-18)30-16(2)34/h3-8,12-14,20H,9-11H2,1-2H3,(H,30,34)(H,35,36)(H,31,32,33)/t20-/m0/s1
InChIKeyDYYYOJWTTPYOIK-FQEVSTJZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH]1CCC(=CC1)c2ccc(cc2)c3nc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(O)=O
ACDLabs 12.01CC(=O)NC1CC=C(CC1)c1ccc(cc1)c1nc2nc(Oc3cc(C(=O)O)c(C)cc3)[NH]c2cc1Cl
OpenEye OEToolkits 2.0.7Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)C5=CCC(CC5)NC(=O)C)Cl
CACTVS 3.385CC(=O)N[C@@H]1CCC(=CC1)c2ccc(cc2)c3nc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)C5=CC[C@@H](CC5)NC(=O)C)Cl
FormulaC28 H25 Cl N4 O4
Name5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid
ChEMBL
DrugBank
ZINC
PDB chain7myj Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7myj Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		R83 S108 V113
Binding residue
(residue number reindexed from 1)		R9 S34 V39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005515 protein binding
GO:0019901 protein kinase binding
Biological Process
GO:0006468 protein phosphorylation
GO:0006633 fatty acid biosynthetic process
GO:0007165 signal transduction
GO:0010628 positive regulation of gene expression
GO:0031669 cellular response to nutrient levels
GO:0035878 nail development
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0031588 nucleotide-activated protein kinase complex
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7myj, PDBe:7myj, PDBj:7myj
PDBsum7myj
PubMed35552369
UniProtQ9Y478|AAKB1_HUMAN 5'-AMP-activated protein kinase subunit beta-1 (Gene Name=PRKAB1)

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