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

NameCHEMBL2409013
Molecular formulaC25H29N7OS
IUPAC name5-butyl-N-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
Molecular weight475.615
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsSCHEMBL2391156
BDBM50437431
Inchi KeyAAUARBMANVIYBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N7OS/c1-4-5-10-20-17(24(33)29-19-9-6-8-18-23(19)31(3)15-27-18)14-28-32(20)25-26-13-16(2)22(30-25)21-11-7-12-34-21/h7,11-15,19H,4-6,8-10H2,1-3H3,(H,29,33)
PubChem CID60207828
ChEMBLCHEMBL2409013
IUPHARN/A
BindingDB50437431
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50100.0 nMPMID24900747BindingDB,ChEMBL

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