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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 35
Species	Homo sapiens (Human)
Gene	GPR35
Synonym	G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor
Disease	N/A
Length	309
Amino acid sequence	MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
UniProt	Q9HC97
Protein Data Bank	N/A
GPCR-HGmod model	Q9HC97
3D structure model	This predicted structure model is from GPCR-EXP Q9HC97.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293267
IUPHAR	102
DrugBank	BE0005562

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	2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chloro-10H-phenothiazin-10-yl)-1-ethanone AKOS001730603 2-(1,3-benzothiazol-2-ylthio)-1-(2-chloro-10-phenothiazinyl)ethanone CHEMBL1545328 SMR000198068 128175-05-3 A2755/0116998 MCULE-2109113637 STK131187 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone BDBM61043 MolPort-000-471-232 2-(1,3-benzothiazol-2-ylthio)-1-(2-chlorophenothiazin-10-yl)ethanone cid_1834960 SR-01000537713 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chloranylphenothiazin-10-yl)ethanone AC1LXQRY MLS-0098345.0001 ZINC2201207 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-chlorophenothiazin-10-yl)ethanone Oprea1_078195 10-[(1,3-benzothiazol-2-ylthio)acetyl]-2-chloro-10H-phenothiazine HMS2446A08 SR-01000537713-1 [ 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
IC50	32000.0 nM	N/A	BindingDB

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