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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.
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 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	BDBM54304
Molecular formula	C21H18BrN3O3S
IUPAC name	[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate
Molecular weight	472.357
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.7
Synonyms	[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester cid_5679921
Inchi Key	FWUWEEVQZWOUJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18BrN3O3S/c1-12-8-19(13(2)7-15(12)22)29-11-20(27)28-10-18(26)14(9-23)21-24-16-5-3-4-6-17(16)25-21/h3-8,14H,10-11H2,1-2H3,(H,24,25)
PubChem CID	40578200
ChEMBL	N/A
IUPHAR	N/A
BindingDB	54304
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	5950.0 nM	N/A	BindingDB

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