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

NameOlfactory receptor 5K1
SpeciesHomo sapiens (Human)
GeneOR5K1
SynonymHTPCRX10
Olfactory receptor OR3-8
DiseaseN/A
Length308
Amino acid sequenceMAEENHTMKNEFILTGFTDHPELKTLLFVVFFAIYLITVVGNISLVALIFTHRRLHTPMYIFLGNLALVDSCCACAITPKMLENFFSENKRISLYECAVQFYFLCTVETADCFLLAAMAYDRYVAICNPLQYHIMMSKKLCIQMTTGAFIAGNLHSMIHVGLVFRLVFCGSNHINHFYCDILPLYRLSCVDPYINELVLFIFSGSVQVFTIGSVLISYLYILLTIFKMKSKEGRAKAFSTCASHFLSVSLFYGSLFFMYVRPNLLEEGDKDIPAAILFTIVVPLLNPFIYSLRNREVISVLRKILMKK
UniProtQ8NHB7
Protein Data BankN/A
GPCR-HGmod modelQ8NHB7
3D structure modelThis predicted structure model is from GPCR-EXP Q8NHB7.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3721312
IUPHARN/A
DrugBankN/A

Ligand

NameMUSK KETONE
Molecular formulaC14H18N2O5
IUPAC name1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Molecular weight294.307
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsNCGC00255386-01
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanon
SR-01000324027
2,6-Dimethyl-3,5-dinitro-4-tert-butylacetophenone
W-104216
[ Show all ]
Inchi KeyWXCMHFPAUCOJIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
PubChem CID6669
ChEMBLCHEMBL1877463
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition40.0 %NoneChEMBL

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