Structure of PDB 7f5e Chain A Binding Site BS01

Receptor Information
>7f5e Chain A (length=108) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYGVIKEPMDL
ATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQCAEVLESFF
VQKLKGFK
Ligand information
Ligand ID1IY
InChIInChI=1S/C20H23N5O2S/c1-24(2)10-4-11-25-12-8-14-13-15(5-6-17(14)25)18-16-7-9-21-19(16)23-20(22-18)28(3,26)27/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22,23)
InChIKeyPNAZPTARVAORJD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)CCCn1ccc2c1ccc(c2)c3c4cc[nH]c4nc(n3)S(=O)(=O)C
CACTVS 3.385CN(C)CCCn1ccc2cc(ccc12)c3nc(nc4[nH]ccc34)[S](C)(=O)=O
FormulaC20 H23 N5 O2 S
NameN,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine
ChEMBLCHEMBL4873042
DrugBank
ZINC
PDB chain7f5e Chain A Residue 201 [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]
PDB7f5e Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
Resolution2.20017 Å
Binding residue
(original residue number in PDB)		W91 D101 C144 N148 F154
Binding residue
(residue number reindexed from 1)		W26 D36 C79 N83 F89
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:7f5e, PDBe:7f5e, PDBj:7f5e
PDBsum7f5e
PubMed
UniProtQ12830|BPTF_HUMAN Nucleosome-remodeling factor subunit BPTF (Gene Name=BPTF)

[Back to BioLiP]