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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-0435440.0001
Molecular formula	C22H19Cl2FN6
IUPAC name	1-[(2,4-dichlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
Molecular weight	457.334
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.2
Synonyms	1-[(2,4-dichlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazinyl]pyrazolo[5,4-d ]pyrimidine CHEMBL1707504 SMR001563344 Z56936128 1-[(2,4-dichlorophenyl)methyl]-4-[4-(4-fluorophenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine BDBM64831 MolPort-004-414-942 1-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-fluorophenyl)piperazine cid_2474060 ST50426567 1-(2,4-dichlorobenzyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine AC1M7TET MLS-0435440.0002 ZINC3356776 1-[(2,4-dichlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Oprea1_069193 537016-20-9 MCULE-2045221494 STL488902 1-(2,4-dichlorobenzyl)-4-[4-(4-fluorophenyl)piperazino]pyrazolo[3,4-d]pyrimidine AKOS001064890 MLS002699454 [ Show all ]
Inchi Key	CFKITRQJOAIREA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H19Cl2FN6/c23-16-2-1-15(20(24)11-16)13-31-22-19(12-28-31)21(26-14-27-22)30-9-7-29(8-10-30)18-5-3-17(25)4-6-18/h1-6,11-12,14H,7-10,13H2
PubChem CID	2474060
ChEMBL	CHEMBL1707504
IUPHAR	N/A
BindingDB	64831
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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