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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-0437148.0001
Molecular formula	C23H27N5O2
IUPAC name	N,7-dicyclopentyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight	405.502
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.0
Synonyms	CHEMBL1698745 N,1-dicyclopentyl-2-imino-8-methyl-5-oxodipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide 876709-01-2 SR-01000147556-1 BDBM76051 N,1-dicyclopentyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide ZINC100560195 2-azanylidene-N,1-dicyclopentyl-8-methyl-5-oxidanylidene-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide cid_3151387 N,7-dicyclopentyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide AC1MK6G8 MolPort-000-484-956 STK883752 N,1-dicyclopentyl-2-imino-8-methyl-5-oxo-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarboxamide MCULE-8247621165 SR-01000147556 AKOS001660724 N,1-dicyclopentyl-2-imino-5-keto-8-methyl-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide Z1213666845 [ Show all ]
Inchi Key	DWDPGNXYRREXDD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27N5O2/c1-14-10-11-19-26-21-18(23(30)27(19)13-14)12-17(22(29)25-15-6-2-3-7-15)20(24)28(21)16-8-4-5-9-16/h10-13,15-16,24H,2-9H2,1H3,(H,25,29)
PubChem CID	3151387
ChEMBL	CHEMBL1698745
IUPHAR	N/A
BindingDB	76051
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	8180.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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