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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 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	alpha-cyano-4-hydroxycinnamic acid
Molecular formula	C10H7NO3
IUPAC name	(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
Molecular weight	189.17
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.4
Synonyms	HMS500K21 s8612 (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid alpha-CCA alpha-Cyano-4-hydroxycinnamic acid, matrix substance for MALDI-MS, >=99.0% (HPLC) BRD-K60302405-001-04-5 MFCD00004204 SMR001306800 2-Cyano-3-(4-hydroxyphenyl)-2-propenoic acid AC1Q4QEL alpha-Cyano-4-hydroxybenzenepropenoic acid alpha-Cyano-4-hydroxycinnamic acid, suitable for MALDI-TOF MS CHCA NCGC00094622-01 STL557363 (E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoic acid 28166-41-8 AFVLVVWMAFSXCK-VMPITWQZSA-N alpha-Cyano-4-hydroxycinnamic acid, 99% benzylidenemalononitrile (BMN) deriv. 34 CHEMBL76602 IDI1_000219 SBB057160 .alpha.-Cyano-4-hydroxycinnamic acid A819766 alpha-CHCA alpha-Cyano-4-hydroxycinnamic acid, matrix substance for MALDI-MS, Ultra pure BSPBio_002260 MLS002207285 Spectrum5_001633 (2E)-2-Cyano-3-(4-hydroxyphenyl)-2-propenoic acid # 2-Cyano-3-(4-hydroxyphenyl)acrylic acid AC1Q71LE BBL103553 CHEBI:64340 GEO-00838 NCGC00094622-02 ZINC155109 (E)-2-cyano-3-(4-hydroxyphenyl)acrylic acid 4-HCCA AKOS000145566 alpha-Cyano-4-hydroxycinnamic acid, >=98% (TLC), powder BRD-K60302405-001-02-9 KB-117658 SCHEMBL26825 1-carboxy-1-cyano-2-(4-hydroxyphenyl)ethylene AC1NS5CM alpha-Cyano alpha-Cyano-4-hydroxycinnamic acid, purum, >=99.0% (HPLC) CCG-39475 MolPort-001-792-047 ST50997515 (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)- ACCA alpha-Cyano-4-hydroxycinnamic acid, 97% BDBM4350 [ Show all ]
Inchi Key	AFVLVVWMAFSXCK-VMPITWQZSA-N
Inchi ID	InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+
PubChem CID	5328791
ChEMBL	CHEMBL76602
IUPHAR	N/A
BindingDB	4350
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	9800.0 nM	PMID24900447	BindingDB,ChEMBL
EC50	70700.0 nM	PMID24900447	BindingDB,ChEMBL
Efficacy	331.0 picometer	PMID24900447	ChEMBL
IC50	30400.0 nM	PMID24900447	BindingDB,ChEMBL
Ratio	4.0 -	PMID24900447	ChEMBL

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