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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	CHEMBL238396
Molecular formula	C36H63N11O8
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]-1,2-oxazole-5-carboxamide
Molecular weight	777.969
Hydrogen bond acceptor	10
Hydrogen bond donor	9
XlogP	1.7
Synonyms	BDBM50440850
Inchi Key	BQZRIEZJWTYOFA-DAOOESDTSA-N
Inchi ID	InChI=1S/C36H63N11O8/c1-9-21(7)28(30(37)49)46-32(51)24(16-19(3)4)44-31(50)23(12-11-14-40-36(38)39)43-27(48)18-41-35(54)29(22(8)10-2)47-33(52)25(17-20(5)6)45-34(53)26-13-15-42-55-26/h13,15,19-25,28-29H,9-12,14,16-18H2,1-8H3,(H2,37,49)(H,41,54)(H,43,48)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H4,38,39,40)/t21-,22-,23-,24-,25-,28-,29-/m0/s1
PubChem CID	44433916
ChEMBL	CHEMBL238396
IUPHAR	N/A
BindingDB	50440850
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	100.0 nM	PMID23895492	BindingDB,ChEMBL
EC50	220.0 nM	PMID17765542	ChEMBL

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