Structure of PDB 5e9v Chain A Binding Site BS01

Receptor Information
>5e9v Chain A (length=113) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMK
DKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMM
SKERLLALKRSMS
Ligand information
Ligand ID5L0
InChIInChI=1S/C21H20N4O2/c1-15(26)19-14-17(18-3-2-4-21-22-6-8-25(18)21)20-13-16(5-7-24(19)20)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3
InChIKeyLBUBPCSKFDKKFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5
OpenEye OEToolkits 1.9.2CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5
CACTVS 3.385CC(=O)c1cc(c2cccc3nccn23)c4cc(ccn14)N5CCOCC5
FormulaC21 H20 N4 O2
Name1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
ChEMBLCHEMBL3740819
DrugBank
ZINCZINC000263620687
PDB chain5e9v Chain A 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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PDB5e9v Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F160 I169 N216 Y222
Binding residue
(residue number reindexed from 1)		F23 I32 N79 Y85
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5e9v, PDBe:5e9v, PDBj:5e9v
PDBsum5e9v
PubMed
UniProtQ9H8M2|BRD9_HUMAN Bromodomain-containing protein 9 (Gene Name=BRD9)

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