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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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-0437176.0001
Molecular formula	C20H18N4O
IUPAC name	4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
Molecular weight	330.391
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.6
Synonyms	MolPort-009-014-757 4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine MCULE-2781717780 AS-938/12583062 ZINC36649131 CHEMBL1713770 4-(4-methoxyphenyl)-7-methyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazine BDBM76072 cid_42600928 [ Show all ]
Inchi Key	AYBHAKOBTPNMON-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3
PubChem CID	42600928
ChEMBL	CHEMBL1713770
IUPHAR	N/A
BindingDB	76072
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	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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