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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	CHEMBL3752235
Molecular formula	C30H44N4O5
IUPAC name	N-[(2S)-1-[[(2S,3S)-1-[(2-butan-2-yloxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight	540.705
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	6.3
Synonyms	BDBM50138043
Inchi Key	JXEROGFKOZXVRH-IIAACTKASA-N
Inchi ID	InChI=1S/C30H44N4O5/c1-5-20(3)27(30(37)31-19-23-14-10-11-15-25(23)38-21(4)6-2)34-28(35)24(18-22-12-8-7-9-13-22)33-29(36)26-16-17-32-39-26/h10-11,14-17,20-22,24,27H,5-9,12-13,18-19H2,1-4H3,(H,31,37)(H,33,36)(H,34,35)/t20-,21?,24-,27-/m0/s1
PubChem CID	71511553
ChEMBL	CHEMBL3752235
IUPHAR	N/A
BindingDB	50138043
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	6.0 %	PMID26725028	ChEMBL
IC50	1000.0 nM	PMID26725028	BindingDB,ChEMBL
IC50	1258.93 nM	PMID26725028	ChEMBL
IC50	1259.0 nM	PMID26725028	BindingDB
Inhibition	53.0 %	PMID26725028	ChEMBL

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