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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.
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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	CHEMBL1689561
Molecular formula	C32H55N11O6
IUPAC name	6-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-3-carboxamide
Molecular weight	689.863
Hydrogen bond acceptor	9
Hydrogen bond donor	9
XlogP	0.5
Synonyms	6-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoyl-7-(3-guanidinopropyl)-2,18-dimethyl-6,9,12,15-tetraoxo-5,8,11,14-tetraazanonadecan-16-yl)nicotinamide BDBM50339245
Inchi Key	FZHMCIGNLYTREM-OPTWNZHXSA-N
Inchi ID	InChI=1S/C32H55N11O6/c1-7-19(6)26(43-30(48)23(14-18(4)5)42-28(46)20-10-11-24(33)38-15-20)31(49)39-16-25(44)40-21(9-8-12-37-32(35)36)29(47)41-22(27(34)45)13-17(2)3/h10-11,15,17-19,21-23,26H,7-9,12-14,16H2,1-6H3,(H2,33,38)(H2,34,45)(H,39,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,37)/t19-,21-,22-,23-,26-/m0/s1
PubChem CID	51351274
ChEMBL	CHEMBL1689561
IUPHAR	N/A
BindingDB	50339245
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	<5.0 %	PMID21294569	ChEMBL
Activity	55.0 %	PMID21294569	ChEMBL
Activity	93.0 %	PMID21294569	ChEMBL
Activity	100.0 %	PMID21294569	ChEMBL
EC50	311.0 nM	PMID21294569	BindingDB,ChEMBL
EC50	2600.0 nM	PMID21294569	BindingDB,ChEMBL

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