Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

GPCR

NameG-protein coupled receptor 35
SpeciesMus musculus (Mouse)
GeneGpr35
SynonymG-protein coupled receptor 3
GPR35
KYNA receptor
Kynurenic acid receptor
DiseaseN/A for non-human GPCRs
Length307
Amino acid sequenceMNSTTCNSTLTWPASVNNFFIIYSALLLVLGLLLNSVALWVFCYRMHQWTETRIYMTNLAVADLCLLCSLPFVLYSLKYSSSDTPVCQLSQGIYLANRYMSISLVTAIAVDRYVAVRHPLRARELRSPRQAAAVCVALWVIVVTSLVVRWRLGMQEGGFCFSSQTRRNFSTTAFSLLGFYLPLAIVVFCSLQVVTVLSRRPAADVGQAEATQKATHMVWANLAVFVICFLPLHVVLTVQVSLNLNTCAARDTFSRALSITGKLSDTNCCLDAICYYYMAREFQEASKPATSSNTPHKSQDSQILSLT
UniProtQ9ES90
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2390813
IUPHAR102
DrugBankN/A

Ligand

NameCHEMBL2392156
Molecular formulaC18H10F3NO5
IUPAC name4-oxo-8-[[4-(trifluoromethyl)benzoyl]amino]chromene-2-carboxylic acid
Molecular weight377.275
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50436030
Inchi KeyKWQQLPCMVMIVLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H10F3NO5/c19-18(20,21)10-6-4-9(5-7-10)16(24)22-12-3-1-2-11-13(23)8-14(17(25)26)27-15(11)12/h1-8H,(H,22,24)(H,25,26)
PubChem CID71735035
ChEMBLCHEMBL2392156
IUPHARN/A
BindingDB50436030
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity23.0 %PMID23713606ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417