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

NameCHEMBL2153468
Molecular formulaC32H22F7N3O2
IUPAC name3,3,3-trifluoro-N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-hydroxy-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
Molecular weight613.536
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP7.2
SynonymsBDBM50393136
Inchi KeyIRMAYPNFECPMPF-RZQQEOIVSA-N
Inchi IDInChI=1S/C32H22F7N3O2/c1-18(19-4-6-20(7-5-19)23-10-14-26(33)25(17-23)31(34,35)36)41-29(43)30(44,32(37,38)39)24-12-8-21(9-13-24)27-15-11-22-3-2-16-40-28(22)42-27/h2-18,44H,1H3,(H,41,43)/t18-,30?/m0/s1
PubChem CID71460333
ChEMBLCHEMBL2153468
IUPHARN/A
BindingDB50393136
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5016.0 nMPMID21571530BindingDB,ChEMBL

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