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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	N-(dibenzylcarbamothioyl)-4-methoxybenzamide
Molecular formula	C23H22N2O2S
IUPAC name	N-(dibenzylcarbamothioyl)-4-methoxybenzamide
Molecular weight	390.501
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.6
Synonyms	AKOS001400579 MolPort-002-240-860 SCHEMBL2153243 CHEMBL1520896 N-[(dibenzylamino)carbonothioyl]-4-methoxybenzamide ZINC1146574 MCULE-7973783418 Oprea1_852148 BDBM57459 SMR000197439 cid_1318054 N-[bis(phenylmethyl)carbamothioyl]-4-methoxy-benzamide AC1LQ52Q MLS000577329 REGID_for_CID_1318054 N-(dibenzylthiocarbamoyl)-4-methoxy-benzamide STK873271 HMS2410F24 N-[[bis(phenylmethyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide [ Show all ]
Inchi Key	BLSFWWQNJIEODB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N2O2S/c1-27-21-14-12-20(13-15-21)22(26)24-23(28)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,24,26,28)
PubChem CID	1318054
ChEMBL	CHEMBL1520896
IUPHAR	N/A
BindingDB	57459
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	4359.9 nM	N/A	BindingDB
IC50	4359.91 nM	PubChem BioAssay data set	ChEMBL

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