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

NameProbable G-protein coupled receptor 142
SpeciesHomo sapiens (Human)
GeneGPR142
SynonymAXOR103
G-protein coupled receptor PGR2
GPR142
KIF19
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

NameCHEMBL2164852
Molecular formulaC26H25N5O2S
IUPAC name(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
Molecular weight471.579
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50395783
Inchi KeyAULGPOMNVKYHNM-QFIPXVFZSA-N
Inchi IDInChI=1S/C26H25N5O2S/c1-17-29-23(16-34-17)26(9-10-26)31-22(13-18-5-3-2-4-6-18)25(33)30-21-14-20(15-28-24(21)32)19-7-11-27-12-8-19/h2-8,11-12,14-16,22,31H,9-10,13H2,1H3,(H,28,32)(H,30,33)/t22-/m0/s1
PubChem CID71455108
ChEMBLCHEMBL2164852
IUPHARN/A
BindingDB50395783
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50200.0 nMPMID22926069BindingDB,ChEMBL
Emax106.0 %PMID22926069ChEMBL

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