Structure of PDB 7lpk Chain A Binding Site BS01

Receptor Information
>7lpk Chain A (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STEDAMTVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYG
VIKEPMDLATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQC
AEVLESFFVQKLKGFKASR
Ligand information
Ligand IDY9P
InChIInChI=1S/C9H13ClN4O/c1-14-9(15)8(10)7(5-12-14)13-6-2-3-11-4-6/h5-6,11,13H,2-4H2,1H3/t6-/m1/s1
InChIKeyVEVITSUXBQZDFS-ZCFIWIBFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C(=O)C(=C(C=N1)NC2CCNC2)Cl
CACTVS 3.385CN1N=CC(=C(Cl)C1=O)N[C@@H]2CCNC2
CACTVS 3.385CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2
OpenEye OEToolkits 2.0.7CN1C(=O)C(=C(C=N1)N[C@@H]2CCNC2)Cl
FormulaC9 H13 Cl N4 O
Name4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one
ChEMBLCHEMBL4867912
DrugBank
ZINC
PDB chain7lpk Chain A Residue 3101 [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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PDB7lpk Pyridazone inhibitors of BPTF bromodomain
Resolution1.39 Å
Binding residue
(original residue number in PDB)		P2951 F2952 Y3006 N3007 F3013
Binding residue
(residue number reindexed from 1)		P35 F36 Y90 N91 F97
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006357 regulation of transcription by RNA polymerase II
Cellular Component
GO:0016589 NURF complex

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Biological Process
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Cellular Component
External links
PDB RCSB:7lpk, PDBe:7lpk, PDBj:7lpk
PDBsum7lpk
PubMed34515477
UniProtQ12830|BPTF_HUMAN Nucleosome-remodeling factor subunit BPTF (Gene Name=BPTF)

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