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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	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 AKOS001400579 MolPort-002-240-860 SCHEMBL2153243 CHEMBL1520896 N-[(dibenzylamino)carbonothioyl]-4-methoxybenzamide ZINC1146574 MCULE-7973783418 Oprea1_852148 BDBM57459 SMR000197439 [ 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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