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GPCR

Name	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

Ligand

Name	SMR000153080
Molecular formula	C23H27F3N4O3S
IUPAC name	3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
Molecular weight	496.549
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.6
Synonyms	HMS2162O15 ZINC8666050 749914-63-4 MLS000565958 3-[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-[3-(trifluoromethyl)phenyl]propanamide AKOS007981990 CHEMBL1374931 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide HMS3317B09 AB00457291-04 MLS001332780 3-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide BDBM61022 cid_3387518 Z28168851 MCULE-8021707137 3-[5-(diethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propanamide AC1MPM9C MolPort-005-776-770 3-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]-N-[3-(trifluoromethyl)phenyl]propionamide [ Show all ]
Inchi Key	AMOYQXOTIPSJNI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27F3N4O3S/c1-4-29(5-2)34(32,33)18-10-11-20-19(15-18)28-21(30(20)6-3)12-13-22(31)27-17-9-7-8-16(14-17)23(24,25)26/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,27,31)
PubChem CID	3387518
ChEMBL	CHEMBL1374931
IUPHAR	N/A
BindingDB	61022
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	7875.55 nM	PubChem BioAssay data set	ChEMBL
EC50	7875.55 nM	N/A	BindingDB

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