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

NameSCHEMBL1279855
Molecular formulaC20H25N7O3
IUPAC name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
Molecular weight411.466
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP0.9
SynonymsUS9247759, 12-26
BDBM211375
GANWSWFQZNZFFY-UHFFFAOYSA-N
1-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
CHEMBL3924674
Inchi KeyGANWSWFQZNZFFY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25N7O3/c1-12-7-15(24(6)22-12)10-26-19(29)27(18(28)20(26,4)5)16-8-21-25(9-16)11-17-13(2)23-30-14(17)3/h7-9H,10-11H2,1-6H3
PubChem CID53373958
ChEMBLCHEMBL3924674
IUPHARN/A
BindingDB211375
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50230.0 nMNoneChEMBL
IC50230.0 nMN/ABindingDB

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