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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	MLS000034919
Molecular formula	C21H18N4O3
IUPAC name	ethyl 7-benzyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Molecular weight	374.4
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.9
Synonyms	cid_651615 MLS000889377 AKOS000529478 ethyl 2-azanylidene-5-oxidanylidene-1-(phenylmethyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxylate SR-01000322369 2-imino-5-oxo-1-(phenylmethyl)-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarboxylic acid ethyl ester MLS-0007957.0001 ZINC100318729 AB00428585-06 ethyl 1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate MolPort-000-480-718 1-Benzyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid ethyl ester BAS 04995196 HMS2345I03 SR-01000322369-1 497242-28-1 CHEMBL1420151 AC1LCKF4 ethyl 1-benzyl-2-imino-5-oxodipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxylate SMR000013107 1-benzyl-2-imino-5-keto-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxylic acid ethyl ester BDBM61397 MCULE-6791835030 STK514554 [ Show all ]
Inchi Key	FCFRRERPZXNRCF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18N4O3/c1-2-28-21(27)15-12-16-19(23-17-10-6-7-11-24(17)20(16)26)25(18(15)22)13-14-8-4-3-5-9-14/h3-12,22H,2,13H2,1H3
PubChem CID	651615
ChEMBL	CHEMBL1420151
IUPHAR	N/A
BindingDB	61397
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
IC50	>500.0 nM	PubChem BioAssay data set	ChEMBL
IC50	500.0 nM	N/A	BindingDB
IC50	878.0 nM	PubChem BioAssay data set	ChEMBL

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