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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	MLS000576788
Molecular formula	C21H13ClN2OS3
IUPAC name	2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chlorophenothiazin-10-yl)ethanone
Molecular weight	440.978
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	6.6
Synonyms	MLS-0098345.0001 ZINC2201207 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chloranylphenothiazin-10-yl)ethanone AC1LXQRY Oprea1_078195 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chlorophenothiazin-10-yl)ethanone HMS2446A08 SR-01000537713-1 10-[(1,3-benzothiazol-2-ylthio)acetyl]-2-chloro-10H-phenothiazine 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chloro-10H-phenothiazin-10-yl)-1-ethanone AKOS001730603 SMR000198068 2-(1,3-benzothiazol-2-ylthio)-1-(2-chloro-10-phenothiazinyl)ethanone CHEMBL1545328 MCULE-2109113637 STK131187 128175-05-3 A2755/0116998 MolPort-000-471-232 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone BDBM61043 SR-01000537713 2-(1,3-benzothiazol-2-ylthio)-1-(2-chlorophenothiazin-10-yl)ethanone cid_1834960 [ Show all ]
Inchi Key	FMDLVZUWUFDOQJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H13ClN2OS3/c22-13-9-10-19-16(11-13)24(15-6-2-4-8-18(15)27-19)20(25)12-26-21-23-14-5-1-3-7-17(14)28-21/h1-11H,12H2
PubChem CID	1834960
ChEMBL	CHEMBL1545328
IUPHAR	N/A
BindingDB	61043
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	748.0 nM	PubChem BioAssay data set	ChEMBL
EC50	840.146 nM	N/A	BindingDB
EC50	840.15 nM	PubChem BioAssay data set	ChEMBL

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