Structure of PDB 6yqr Chain AAA Binding Site BS01

Receptor Information
>6yqr Chain AAA (length=101) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMK
DKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMM
S
Ligand information
Ligand IDP8W
InChIInChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3
InChIKeyJLOICACPNWZYGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3
CACTVS 3.385CN1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3
FormulaC19 H19 N3 O
Name2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one;
Biphenyl-methylamino-dimethylpyridazinone
ChEMBLCHEMBL4633192
DrugBank
ZINC
PDB chain6yqr Chain AAA Residue 201 [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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PDB6yqr Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains.
Resolution1.684 Å
Binding residue
(original residue number in PDB)		F44 F45 V49 I53 Y99 N100 Y106
Binding residue
(residue number reindexed from 1)		F23 F24 V28 I32 Y78 N79 Y85
Annotation score1
Binding affinityBindingDB: IC50=100nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6yqr, PDBe:6yqr, PDBj:6yqr
PDBsum6yqr
PubMed32410449
UniProtQ9H8M2|BRD9_HUMAN Bromodomain-containing protein 9 (Gene Name=BRD9)

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