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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	CHEMBL236294
Molecular formula	C45H70N10O7
IUPAC name	N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]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]-4-phenylbenzamide
Molecular weight	863.118
Hydrogen bond acceptor	8
Hydrogen bond donor	9
XlogP	4.6
Synonyms	N/A
Inchi Key	GVRNPFKCJNAYLL-HBNHFNANSA-N
Inchi ID	InChI=1S/C45H70N10O7/c1-9-28(7)37(39(46)57)54-42(60)35(24-27(5)6)53-41(59)33(17-14-22-49-45(47)48)51-36(56)25-50-44(62)38(29(8)10-2)55-43(61)34(23-26(3)4)52-40(58)32-20-18-31(19-21-32)30-15-12-11-13-16-30/h11-13,15-16,18-21,26-29,33-35,37-38H,9-10,14,17,22-25H2,1-8H3,(H2,46,57)(H,50,62)(H,51,56)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H4,47,48,49)/t28-,29-,33-,34-,35-,37-,38-/m0/s1
PubChem CID	44433908
ChEMBL	CHEMBL236294
IUPHAR	N/A
BindingDB	N/A
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
EC50	15800.0 nM	PMID17765542	ChEMBL

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