Structure of PDB 7lrk Chain B Binding Site BS01

Receptor Information
>7lrk Chain B (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSTEDAMTVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDY
YGVIKEPMDLATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFY
QCAEVLESFFVQKLKGFKASRSH
Ligand information
Ligand IDYC4
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-/m0/s1
InChIKeyVEVITSUXBQZDFS-LURJTMIESA-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
OpenEye OEToolkits 2.0.7CN1C(=O)C(=C(C=N1)N[C@H]2CCNC2)Cl
CACTVS 3.385CN1N=CC(=C(Cl)C1=O)N[CH]2CCNC2
FormulaC9 H13 Cl N4 O
Name4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one
ChEMBLCHEMBL4871852
DrugBank
ZINC
PDB chain7lrk Chain B Residue 3101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7lrk Pyridazone inhibitors of BPTF bromodomain
Resolution1.44 Å
Binding residue
(original residue number in PDB)		P2951 F2952 V2956 Y3006 N3007 F3013
Binding residue
(residue number reindexed from 1)		P37 F38 V42 Y92 N93 F99
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

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7lrk, PDBe:7lrk, PDBj:7lrk
PDBsum7lrk
PubMed34515477
UniProtQ12830|BPTF_HUMAN Nucleosome-remodeling factor subunit BPTF (Gene Name=BPTF)

[Back to BioLiP]