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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	MLS000682668
Molecular formula	C22H23F3N4OS
IUPAC name	2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight	448.508
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	6.1
Synonyms	2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide cid_4137233 SR-01000590376 AC1N4ZYT MCULE-6820970405 MolPort-007-948-102 2,5-dimethyl-4-(4-methylpiperidino)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide EU-0099157 SR-01000590376-1 AKOS002109051 MLS-0267529.0001 2,5-dimethyl-4-(4-methyl-1-piperidinyl)-N-[2-(trifluoromethyl)phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide CHEMBL1406762 SMR000312025 HMS2601K08 ZINC2924599 BDBM57757 [ Show all ]
Inchi Key	BKBIFNJLMCCFLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23F3N4OS/c1-12-8-10-29(11-9-12)19-17-13(2)18(31-21(17)27-14(3)26-19)20(30)28-16-7-5-4-6-15(16)22(23,24)25/h4-7,12H,8-11H2,1-3H3,(H,28,30)
PubChem CID	4137233
ChEMBL	CHEMBL1406762
IUPHAR	N/A
BindingDB	57757
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	6950.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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