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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	MLS000911273
Molecular formula	C29H32N2O3S
IUPAC name	benzyl N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-4-yl]carbamate
Molecular weight	488.646
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.7
Synonyms	cid_24793611 NCGC00186856-01 HMS2194O23 BDBM61142 N-[(4S)-1-[(1S)-1-benzyl-2-(phenylthio)ethyl]-7-keto-azepan-4-yl]carbamic acid benzyl ester CHEMBL1315151 SMR000673979 (phenylmethyl) N-[(4S)-7-oxidanylidene-1-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]azepan-4-yl]carbamate KUC102831N benzyl N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-4-yl]carbamate N-[(4S)-7-oxo-1-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-4-azepanyl]carbamic acid (phenylmethyl) ester [ Show all ]
Inchi Key	CRKBCIORVKUUMV-UIOOFZCWSA-N
Inchi ID	InChI=1S/C29H32N2O3S/c32-28-17-16-25(30-29(33)34-21-24-12-6-2-7-13-24)18-19-31(28)26(20-23-10-4-1-5-11-23)22-35-27-14-8-3-9-15-27/h1-15,25-26H,16-22H2,(H,30,33)/t25-,26-/m0/s1
PubChem CID	24793611
ChEMBL	CHEMBL1315151
IUPHAR	N/A
BindingDB	61142
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
EC50	1743.26 nM	PubChem BioAssay data set	ChEMBL
EC50	1743.26 nM	N/A	BindingDB

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