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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	MLS000552282
Molecular formula	C22H17N3OS2
IUPAC name	2-(1-methylbenzimidazol-2-yl)sulfanyl-1-phenothiazin-10-ylethanone
Molecular weight	403.518
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.1
Synonyms	SMR000177556 2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone A2333/0098466 cid_1130106 STK710492 2-[(1-methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)-1-ethanone AKOS001737569 Oprea1_744296 2-[(1-methylbenzimidazol-2-yl)thio]-1-phenothiazin-10-yl-ethanone SR-01000530860 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-phenothiazin-10-yl-ethanone AC1LMGRW HMS2558K24 MolPort-000-901-483 ZINC870325 2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone BAS 02286847 Oprea1_752007 10-{[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}-10H-phenothiazine CHEMBL1540265 SR-01000530860-1 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-phenothiazin-10-ylethanone AG-205/14552014 MCULE-7895175341 MolPort-019-778-856 2-[(1-methyl-2-benzimidazolyl)thio]-1-(10-phenothiazinyl)ethanone BDBM61047 [ Show all ]
Inchi Key	BEHRZOZMQWWDAA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17N3OS2/c1-24-16-9-3-2-8-15(16)23-22(24)27-14-21(26)25-17-10-4-6-12-19(17)28-20-13-7-5-11-18(20)25/h2-13H,14H2,1H3
PubChem CID	1130106
ChEMBL	CHEMBL1540265
IUPHAR	N/A
BindingDB	61047
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	1287.05 nM	N/A	BindingDB
EC50	1287.05 nM	PubChem BioAssay data set	ChEMBL

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