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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	MLS-0418254.0001
Molecular formula	C19H24N2O5S2
IUPAC name	5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-methylthiophene-2-carboxamide
Molecular weight	424.53
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.7
Synonyms	AC1NJVRR 5-ethyl-N-(2-methoxy-5-morpholinosulfonyl-phenyl)-4-methyl-thiophene-2-carboxamide SMR001248311 HMS3077P17 5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-4-methyl-thiophene-2-carboxamide AKOS034028928 MLS002165953 5-ethyl-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-4-methyl-2-thiophenecarboxamide CHEMBL1705027 Z27832525 796058-68-9 MCULE-9374731213 5-ethyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-methylthiophene-2-carboxamide BDBM68298 MolPort-004-066-638 5-ethyl-N-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]-4-methylthiophene-2-carboxamide cid_4878446 ZINC14164751 [ Show all ]
Inchi Key	CPYIIHGSBLUWEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2O5S2/c1-4-17-13(2)11-18(27-17)19(22)20-15-12-14(5-6-16(15)25-3)28(23,24)21-7-9-26-10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,22)
PubChem CID	4878446
ChEMBL	CHEMBL1705027
IUPHAR	N/A
BindingDB	68298
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	<32000.0 nM	PubChem BioAssay data set	ChEMBL

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