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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-0437226.0001
Molecular formula	C19H26N4OS
IUPAC name	2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
Molecular weight	358.504
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-1-propanone ZINC14114186 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino]-1-propanone MCULE-5927659093 AKOS021878853 UPCMLD0ENAT5821511:001 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one CHEMBL1710129 2-methyl-1-(4-{5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-yl}piperazin-1-yl)propan-1-one BDBM76091 Z31055376 2-methyl-1-[4-(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]propan-1-one cid_17446092 930844-08-9 MolPort-005-574-865 [ Show all ]
Inchi Key	CDFBPUHOZFSRSQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H26N4OS/c1-12(2)19(24)23-10-8-22(9-11-23)17-16-14-6-4-5-7-15(14)25-18(16)21-13(3)20-17/h12H,4-11H2,1-3H3
PubChem CID	17446092
ChEMBL	CHEMBL1710129
IUPHAR	N/A
BindingDB	76091
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	22700.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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