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

NameTaste receptor type 2 member 8
SpeciesHomo sapiens (Human)
GeneTAS2R8
SynonymT2R8
TAS2R8
Taste receptor family B member 5
taste receptor, type 2, member 8
TRB5
DiseaseN/A
Length309
Amino acid sequenceMFSPADNIFIILITGEFILGILGNGYIALVNWIDWIKKKKISTVDYILTNLVIARICLISVMVVNGIVIVLNPDVYTKNKQQIVIFTFWTFANYLNMWITTCLNVFYFLKIASSSHPLFLWLKWKIDMVVHWILLGCFAISLLVSLIAAIVLSCDYRFHAIAKHKRNITEMFHVSKIPYFEPLTLFNLFAIVPFIVSLISFFLLVRSLWRHTKQIKLYATGSRDPSTEVHVRAIKTMTSFIFFFFLYYISSILMTFSYLMTKYKLAVEFGEIAAILYPLGHSLILIVLNNKLRQTFVRMLTCRKIACMI
UniProtQ9NYW2
Protein Data BankN/A
GPCR-HGmod modelQ9NYW2
3D structure modelThis predicted structure model is from GPCR-EXP Q9NYW2.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3988599
IUPHARN/A
DrugBankN/A

Ligand

NameSCHEMBL1279293
Molecular formulaC22H26N6O3
IUPAC name1-benzyl-2-butyl-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2,4-triazolidine-3,5-dione
Molecular weight422.489
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
SynonymsUS9247759, 10-95
CHEMBL3962515
BDBM211347
Inchi KeyDCIGZSLAFMGHSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N6O3/c1-4-5-11-26-21(29)28(22(30)27(26)13-18-9-7-6-8-10-18)19-12-23-25(14-19)15-20-16(2)24-31-17(20)3/h6-10,12,14H,4-5,11,13,15H2,1-3H3
PubChem CID57944920
ChEMBLCHEMBL3962515
IUPHARN/A
BindingDB211347
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50410.0 nMN/ABindingDB
IC50410.0 nMNoneChEMBL

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