Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameMas-related G-protein coupled receptor member X1
SpeciesHomo sapiens (Human)
GeneMRGPRX1
SynonymSensory neuron-specific G-protein coupled receptor 4
Sensory neuron-specific G-protein coupled receptor 3/4
MRGX1
MRGPRX1
Mrgprc11
[ Show all ]
DiseaseN/A
Length322
Amino acid sequenceMDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ
UniProtQ96LB2
Protein Data BankN/A
GPCR-HGmod modelQ96LB2
3D structure modelThis predicted structure model is from GPCR-EXP Q96LB2.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5850
IUPHAR156
DrugBankN/A

Ligand

NameCHEMBL476627
Molecular formulaC28H29ClN6O3
IUPAC nameN-[3-[[5-chloro-4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]-2-methylphenyl]-4-(6-methoxypyridin-3-yl)benzamide
Molecular weight533.029
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.6
SynonymsBDBM50413005
Inchi KeyOGSTUOJFXIAEAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29ClN6O3/c1-18-22(17-35-28(37)26(29)24(16-33-35)31-14-13-30-2)5-4-6-23(18)34-27(36)20-9-7-19(8-10-20)21-11-12-25(38-3)32-15-21/h4-12,15-16,30-31H,13-14,17H2,1-3H3,(H,34,36)
PubChem CID25209047
ChEMBLCHEMBL476627
IUPHARN/A
BindingDB50413005
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50295.0 nMPMID19146417BindingDB
EC50295.12 nMPMID19146417ChEMBL

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