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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS001183805
Molecular formula	C19H16N4
IUPAC name	5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight	300.365
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.7
Synonyms	MCULE-7184718880 ZINC208674 (5-methyl-2,3-diphenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amine BDBM61574 SMR000503181 5-methyl-2,3-diphenyl-pyrazolo[1,5-a]pyrimidin-7-amine cid_4284019 ST51034525 AC1N7RW5 5-methyl-2,3-diphenyl-7-pyrazolo[1,5-a]pyrimidinamine SR-01000084898 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-amine HMS2821O15 STK186200 AKOS005412546 MolPort-002-967-567 5-methyl-2,3-diphenyl-8-hydropyrazolo[1,5-a]pyrimidine-7-ylamine CHEMBL1517179 SR-01000084898-1 [ Show all ]
Inchi Key	BPILEAWNRDHBFJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16N4/c1-13-12-16(20)23-19(21-13)17(14-8-4-2-5-9-14)18(22-23)15-10-6-3-7-11-15/h2-12H,20H2,1H3
PubChem CID	4284019
ChEMBL	CHEMBL1517179
IUPHAR	N/A
BindingDB	61574
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	2349.77 nM	N/A	BindingDB
IC50	2349.77 nM	PubChem BioAssay data set	ChEMBL

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