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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	MLS001028573
Molecular formula	C18H13BrO6S
IUPAC name	6-bromo-3-[2-(4-methoxyphenyl)sulfonylacetyl]chromen-2-one
Molecular weight	437.26
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.4
Synonyms	AKOS002088337 MolPort-007-903-573 CHEMBL1589453 6-bromo-3-[2-(4-methoxyphenyl)sulfonyl-1-oxoethyl]-1-benzopyran-2-one 6-bromo-3-{[(4-methoxyphenyl)sulfonyl]acetyl}-2H-chromen-2-one MCULE-7507720908 BDBM61591 SMR000634151 cid_22588268 6-bromo-3-[2-(4-methoxyphenyl)sulfonylacetyl]chromen-2-one ZINC9590122 6-bromanyl-3-[2-(4-methoxyphenyl)sulfonylethanoyl]chromen-2-one 6-bromo-3-[2-(4-methoxyphenyl)sulfonylacetyl]coumarin HMS2954I05 [ Show all ]
Inchi Key	AYEDAFCBYBLCBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13BrO6S/c1-24-13-3-5-14(6-4-13)26(22,23)10-16(20)15-9-11-8-12(19)2-7-17(11)25-18(15)21/h2-9H,10H2,1H3
PubChem CID	22588268
ChEMBL	CHEMBL1589453
IUPHAR	N/A
BindingDB	61591
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2107.31 nM	PubChem BioAssay data set	ChEMBL
IC50	2107.31 nM	N/A	BindingDB

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