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GLASS

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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	MLS000759858
Molecular formula	C22H27N3O5S2
IUPAC name	N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
Molecular weight	477.594
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.0
Synonyms	AB00654535-06 MCULE-2189582873 SMR000369937 BDBM61103 MolPort-004-253-449 cid_4087445 N-(2-morpholino-5-morpholinosulfonyl-phenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide AC1N3HDP ZINC9470944 N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide HMS2758I20 N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide AKOS001059598 MLS003913972 CHEMBL1420918 N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide [ Show all ]
Inchi Key	BICOMNYLBSABSP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27N3O5S2/c26-22(21-14-16-2-1-3-20(16)31-21)23-18-15-17(32(27,28)25-8-12-30-13-9-25)4-5-19(18)24-6-10-29-11-7-24/h4-5,14-15H,1-3,6-13H2,(H,23,26)
PubChem CID	4087445
ChEMBL	CHEMBL1420918
IUPHAR	N/A
BindingDB	61103
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	6359.72 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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