Structure of PDB 5uvz Chain A Binding Site BS01

Receptor Information
>5uvz Chain A (length=109) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPM
DMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQD
VFEMRFAKM
Ligand information
Ligand ID8NP
InChIInChI=1S/C18H15NO2/c1-13-11-14(12-19-18(13)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20)
InChIKeyZQYOXBNCDYICCV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cccc(c1)Oc2c(cccc2)C=3C=C(C(NC=3)=O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3
FormulaC18 H15 N O2
Name3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one
ChEMBLCHEMBL4082851
DrugBank
ZINC
PDB chain5uvz Chain A Residue 501 [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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PDB5uvz BRD4 Bromodomain 2 with A-1354689
Resolution1.63 Å
Binding residue
(original residue number in PDB)		W374 P375 F376 N433 H437 M442
Binding residue
(residue number reindexed from 1)		W26 P27 F28 N85 H89 M94
Annotation score1
Binding affinityBindingDB: Ki=1700nM,EC50=2300nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5uvz, PDBe:5uvz, PDBj:5uvz
PDBsum5uvz
PubMed
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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