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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	SMR000120305
Molecular formula	C20H18ClN7O2
IUPAC name	[4-[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
Molecular weight	423.861
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.7
Synonyms	ASN 06744932 MLS000527731 [4-[3-[(2-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone CHEMBL1531186 AC1MLPBE HMS3353F02 [4-[3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone BDBM61010 MLS002539019 {4-[3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone cid_3224343 ZINC8680672 AKOS000760367 MCULE-2321712643 [4-[3-[(2-chlorophenyl)methyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone MolPort-000-101-819 {4-[3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazino}(2-furyl)methanone AB00465189-08 HMS2166P11 [4-[3-(2-chlorobenzyl)triazolo[4,5-d]pyrimidin-7-yl]piperazino]-(2-furyl)methanone [ Show all ]
Inchi Key	CPAFRXCNUVTKJZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18ClN7O2/c21-15-5-2-1-4-14(15)12-28-19-17(24-25-28)18(22-13-23-19)26-7-9-27(10-8-26)20(29)16-6-3-11-30-16/h1-6,11,13H,7-10,12H2
PubChem CID	3224343
ChEMBL	CHEMBL1531186
IUPHAR	N/A
BindingDB	61010
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	13710.1 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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