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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Proteinase-activated receptor 2
Species	Homo sapiens (Human)
Gene	F2RL1
Synonym	Protease-activated receptor-2 PAR2 PAR-2 GPR11 G-protein coupled receptor 11 coagulation factor II receptor-like 1 coagulation factor II (thrombin) receptor-like 1 Thrombin receptor-like 1 [ Show all ]
Disease	N/A
Length	397
Amino acid sequence	MRSPSAAWLLGAAILLAASLSCSGTIQGTNRSSKGRSLIGKVDGTSHVTGKGVTVETVFSVDEFSASVLTGKLTTVFLPIVYTIVFVVGLPSNGMALWVFLFRTKKKHPAVIYMANLALADLLSVIWFPLKIAYHIHGNNWIYGEALCNVLIGFFYGNMYCSILFMTCLSVQRYWVIVNPMGHSRKKANIAIGISLAIWLLILLVTIPLYVVKQTIFIPALNITTCHDVLPEQLLVGDMFNYFLSLAIGVFLFPAFLTASAYVLMIRMLRSSAMDENSEKKRKRAIKLIVTVLAMYLICFTPSNLLLVVHYFLIKSQGQSHVYALYIVALCLSTLNSCIDPFVYYFVSHDFRDHAKNALLCRSVRTVKQMQVSLTSKKHSRKSSSYSSSSTTVKTSY
UniProt	P55085
Protein Data Bank	5ndz, 5ndd
GPCR-HGmod model	P55085
3D structure model	This structure is from PDB ID 5ndz.
BioLiP	BL0377325, BL0377326
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5963
IUPHAR	348
DrugBank	N/A

Ligand

Name	UNII-Z9T72Z578T
Molecular formula	C22H25N3O
IUPAC name	[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
Molecular weight	347.462
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.1
Synonyms	Methanone, (2-methyl-1-((3-methylphenyl)methyl)-1H-benzimidazol-5-yl)-1-piperidinyl- Adfence-P free base CHEMBL2431620 (2-Methyl-1-(3-methylbenzyl)-1H-benzo(d)imidazol-5-yl)(piperidin-1-yl)methanone Methylbenzyl methylbenzimidazole piperidinylmethanone BDBM50440865 Z9T72Z578T DTXSID40154011 SCHEMBL31252 [ Show all ]
Inchi Key	FWLBCCWBWAZRLY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25N3O/c1-16-7-6-8-18(13-16)15-25-17(2)23-20-14-19(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3
PubChem CID	56848967
ChEMBL	CHEMBL2431620
IUPHAR	N/A
BindingDB	50440865
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	243000.0 nM	PMID23895492	BindingDB,ChEMBL

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