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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL2431717
Molecular formula	C27H38N4O5
IUPAC name	N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight	498.624
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	5.0
Synonyms	BDBM50440862 SCHEMBL15120063
Inchi Key	CVXCZFZFHKSABI-XZOYJPPVSA-N
Inchi ID	InChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1
PubChem CID	56639666
ChEMBL	CHEMBL2431717
IUPHAR	N/A
BindingDB	50440862
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	20.0 %	PMID26725028	ChEMBL
IC50	400.0 nM	PMID23895492	BindingDB,ChEMBL
IC50	500.0 nM	PMID26725028	BindingDB,ChEMBL
IC50	501.0 nM	PMID26725028	BindingDB
IC50	501.19 nM	PMID26725028	ChEMBL
IC50	1900.0 nM	PMID23895492, PMID26725028	BindingDB,ChEMBL
IC50	1995.0 nM	PMID26725028	BindingDB
IC50	1995.26 nM	PMID26725028	ChEMBL
IC50	4500.0 nM	PMID26725028	BindingDB,ChEMBL
Inhibition	100.0 %	PMID26725028	ChEMBL

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