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 DMFold 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

NameSuccinate receptor 1
SpeciesHomo sapiens (Human)
GeneSUCNR1
Synonymsuccinate receptor 1
succinate receptor
P2Y purinoceptor 1-like
P2Y purinoceptor 1
GPR91
[ Show all ]
DiseaseN/A
Length334
Amino acid sequenceMLGIMAWNATCKNWLAAEAALEKYYLSIFYGIEFVVGVLGNTIVVYGYIFSLKNWNSSNIYLFNLSVSDLAFLCTLPMLIRSYANGNWIYGDVLCISNRYVLHANLYTSILFLTFISIDRYLIIKYPFREHLLQKKEFAILISLAIWVLVTLELLPILPLINPVITDNGTTCNDFASSGDPNYNLIYSMCLTLLGFLIPLFVMCFFYYKIALFLKQRNRQVATALPLEKPLNLVIMAVVIFSVLFTPYHVMRNVRIASRLGSWKQYQCTQVVINSFYIVTRPLAFLNSVINPVFYFLLGDHFRDMLMNQLRHNFKSLTSFSRWAHELLLSFREK
UniProtQ9BXA5
Protein Data BankN/A
GPCR-HGmod modelQ9BXA5
3D structure modelThis predicted structure model is from GPCR-EXP Q9BXA5.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2150838
IUPHAR166
DrugBankBE0002258

Ligand

NameCHEMBL2153448
Molecular formulaC26H22F3N3O2
IUPAC name4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
Molecular weight465.476
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50393125
Inchi KeyIYJBGUHBYDUPEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-7-1-4-21(16-23)19-11-9-18(10-12-19)17-31-24(33)8-2-6-22-14-13-20-5-3-15-30-25(20)32-22/h1,3-5,7,9-16H,2,6,8,17H2,(H,31,33)
PubChem CID71454858
ChEMBLCHEMBL2153448
IUPHARN/A
BindingDB50393125
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50500.0 nMPMID21571530BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218