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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-0435434.0001
Molecular formula	C22H21ClN6
IUPAC name	1-[(2-chlorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine
Molecular weight	404.902
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.5
Synonyms	MCULE-9913079763 1-(2-chlorobenzyl)-4-(4-phenylpiperazino)pyrazolo[3,4-d]pyrimidine AKOS005176241 MolPort-002-669-286 1-[(2-chlorophenyl)methyl]-4-(4-phenylpiperazinyl)pyrazolo[5,4-d]pyrimidine CHEMBL1699055 Z1172235422 903188-79-4 1-[(2-chlorophenyl)methyl]-4-(4-phenyl-1-piperazinyl)pyrazolo[3,4-d]pyrimidine BDBM64825 ST51063640 1-{1-[(2-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylpiperazine cid_8037844 ZINC6673260 1-(2-chlorobenzyl)-4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine AC1OYGLS MLS-0435434.0002 1-[(2-chlorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine STK613530 [ Show all ]
Inchi Key	BNOATZKJNDWSSW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21ClN6/c23-20-9-5-4-6-17(20)15-29-22-19(14-26-29)21(24-16-25-22)28-12-10-27(11-13-28)18-7-2-1-3-8-18/h1-9,14,16H,10-13,15H2
PubChem CID	8037844
ChEMBL	CHEMBL1699055
IUPHAR	N/A
BindingDB	64825
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

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