Structure of PDB 8f6g Chain A Binding Site BS01

Receptor Information
>8f6g Chain A (length=121) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STEDAMTVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYG
VIKEPMDLATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQC
AEVLESFFVQKLKGFKASRSH
Ligand information
Ligand IDXHK
InChIInChI=1S/C13H15ClN4O/c1-18-8-16-12(11(14)13(18)19)17-10-4-2-9(3-5-10)6-7-15/h2-5,8,17H,6-7,15H2,1H3
InChIKeySGIPWPOFBZCITE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01ClC1=C(N=CN(C)C1=O)Nc1ccc(CCN)cc1
OpenEye OEToolkits 2.0.7CN1C=NC(=C(C1=O)Cl)Nc2ccc(cc2)CCN
CACTVS 3.385CN1C=NC(=C(Cl)C1=O)Nc2ccc(CCN)cc2
FormulaC13 H15 Cl N4 O
Name6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one
ChEMBL
DrugBank
ZINC
PDB chain8f6g 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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PDB8f6g Crystal structure of BPTF bromodomain in complex with BZ2
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P2951 F2952 V2956 Y3006 N3007 F3013
Binding residue
(residue number reindexed from 1)		P35 F36 V40 Y90 N91 F97
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8f6g, PDBe:8f6g, PDBj:8f6g
PDBsum8f6g
PubMed
UniProtQ12830|BPTF_HUMAN Nucleosome-remodeling factor subunit BPTF (Gene Name=BPTF)

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