Structure of PDB 2qxm Chain A Binding Site BS02

Receptor Information
>2qxm Chain A (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALSLTADQMVSALLDAEPPILYSEYRPFSEASMMGLLTNLADRELVHM
INWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPN
LLLDRNEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFL
KSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRH
MSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL
Ligand information
Ligand IDPIQ
InChIInChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKeyUQVKZNNCIHJZLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cn1c2cc(cnc2nc1N)c3ccccc3
CACTVS 3.341Cn1c(N)nc2ncc(cc12)c3ccccc3
ACDLabs 10.04n1cc(cc2c1nc(n2C)N)c3ccccc3
FormulaC13 H12 N4
Name2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
ChEMBLCHEMBL1213271
DrugBankDB08398
ZINCZINC000001850101
PDB chain2qxm Chain A Residue 1 [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]
PDB2qxm NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L391 M421 H524 L525
Binding residue
(residue number reindexed from 1)		L84 M109 H208 L209
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2qxm, PDBe:2qxm, PDBj:2qxm
PDBsum2qxm
PubMed18344977
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

[Back to BioLiP]