Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameProbable G-protein coupled receptor 142
SpeciesHomo sapiens (Human)
GeneGPR142
SynonymKIF19
G-protein coupled receptor PGR2
GPR142
AXOR103
DiseaseN/A
Length462
Amino acid sequenceMSIMMLPMEQKIQWVPTSLQDITAVLGTEAYTEEDKSMVSHAQKSQHSCLSHSRWLRSPQVTGGSWDLRIRPSKDSSSFRQAQCLRKDPGANNHLESQGVRGTAGDADRELRGPSEKATAGQPRVTLLPTPHVSGLSQEFESHWPEIAERSPCVAGVIPVIYYSVLLGLGLPVSLLTAVALARLATRTRRPSYYYLLALTASDIIIQVVIVFAGFLLQGAVLARQVPQAVVRTANILEFAANHASVWIAILLTVDRYTALCHPLHHRAASSPGRTRRAIAAVLSAALLTGIPFYWWLDMWRDTDSPRTLDEVLKWAHCLTVYFIPCGVFLVTNSAIIHRLRRRGRSGLQPRVGKSTAILLGITTLFTLLWAPRVFVMLYHMYVAPVHRDWRVHLALDVANMVAMLHTAANFGLYCFVSKTFRATVRQVIHDAYLPCTLASQPEGMAAKPVMEPPGLPTGAEV
UniProtQ7Z601
Protein Data BankN/A
GPCR-HGmod modelQ7Z601
3D structure modelThis predicted structure model is from GPCR-EXP Q7Z601.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2069161
IUPHAR132
DrugBankN/A

Ligand

NameCHEMBL2431059
Molecular formulaC21H19N5OS2
IUPAC name(2S)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
Molecular weight421.537
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50440702
Inchi KeyJREYUFKOFBWOPD-SFHVURJKSA-N
Inchi IDInChI=1S/C21H19N5OS2/c27-20(26-21-25-19(13-28-21)16-6-8-22-9-7-16)18(10-15-4-2-1-3-5-15)24-12-17-11-23-14-29-17/h1-9,11,13-14,18,24H,10,12H2,(H,25,26,27)/t18-/m0/s1
PubChem CID72945363
ChEMBLCHEMBL2431059
IUPHARN/A
BindingDB50440702
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501081.0 nMPMID24900757BindingDB,ChEMBL
EC501110.0 nMPMID24900757BindingDB,ChEMBL
Emax82.0 %PMID24900757ChEMBL
Emax108.0 %PMID24900757ChEMBL

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