Structure of PDB 7umo Chain D Binding Site BS01

Receptor Information
>7umo Chain D (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPIGPEDVLGLQRITGDYLCSPEENIYKIDFVRFKIRDMDSGTVLFEIKK
PAGRFVRYQFTPAFLRLRQVGATVEFTVGDKPVNNFRMIERHYFRNQLLK
SFDFHFGFCIPSSKNTCEHIYDFPPLSEELISEMIRHPYETQSDSFYFVD
DRLVMHNKADYSYSG
Ligand information
Ligand IDNT6
InChIInChI=1S/C16H18Cl2N2O/c17-12-4-14(19-8-13(12)18)20-15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H,19,20,21)/t9-,10+,11-,16-
InChIKeyRBBBMHRIAFVEFR-XMEMTASGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
OpenEye OEToolkits 2.0.7c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)Cl)Cl
ACDLabs 12.01O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC(C3)C1)C2
FormulaC16 H18 Cl2 N2 O
Name(3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7umo Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7umo Insulin sensitization by small molecules enhancing GLUT4 translocation.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F91 I93 F133 F137 H165 L172 Y194 F196 P197 L199 Y234 Y236
Binding residue
(residue number reindexed from 1)		F34 I36 F60 F64 H92 L99 Y121 F123 P124 L126 Y161 Y163
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7umo, PDBe:7umo, PDBj:7umo
PDBsum7umo
PubMed37453421
UniProtQ13432|U119A_HUMAN Protein unc-119 homolog A (Gene Name=UNC119)

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