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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.
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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	CHEMBL1269134
Molecular formula	C31H50N6O5
IUPAC name	N-[(2S)-1-[[(2S,3S)-1-[4-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight	586.778
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.5
Synonyms	BDBM50329489 5-Isoxazoyl-Cha-Ile-(piperidin-3-yl)-(4-[aminomethyl]piperidin-1-yl)methanone
Inchi Key	BGUZNKWHYVIOKM-NOOLENRPSA-N
Inchi ID	InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-17-12-24(13-18-37)30(40)36-15-10-23(20-32)11-16-36)35-28(38)25(19-22-7-5-4-6-8-22)34-29(39)26-9-14-33-42-26/h9,14,21-25,27H,3-8,10-13,15-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,25-,27-/m0/s1
PubChem CID	49788378
ChEMBL	CHEMBL1269134
IUPHAR	N/A
BindingDB	50329489
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	12589.0 nM	PMID20873792	BindingDB
EC50	12589.2 nM	PMID20873792	ChEMBL
EC50	13700.0 nM	PMID20873792	ChEMBL

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