Structure of PDB 6tl9 Chain C Binding Site BS02

Receptor Information
>6tl9 Chain C (length=129) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMPCPQDWIWHGENCYLFSSGSFNWEKSQEKCLSLDAKLLKINSTADLDF
IQQAISYSSFPFWMGLSRRNPSYPWLWEDGSPLMPHLFRVRGAVSQTYPS
GTCAYIQRGAVYAENCILAAFSICQKKAN
Ligand information
Ligand IDNJT
InChIInChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyQTCZUCSALXBZQR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl
CACTVS 3.385CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13
FormulaC15 H14 Cl N3 O
Name9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one
ChEMBLCHEMBL5303404
DrugBank
ZINC
PDB chain6tl9 Chain B Residue 303 [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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PDB6tl9 A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state
Resolution2.734 Å
Binding residue
(original residue number in PDB)		F200 P201
Binding residue
(residue number reindexed from 1)		F60 P61
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6tl9, PDBe:6tl9, PDBj:6tl9
PDBsum6tl9
PubMed
UniProtP78380|OLR1_HUMAN Oxidized low-density lipoprotein receptor 1 (Gene Name=OLR1)

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