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

NameMelanin-concentrating hormone receptor 1
SpeciesRattus norvegicus (Rat)
GeneMchr1
SynonymSLC-1
MCHR-1
MCHR
MCH1R
MCH1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length353
Amino acid sequenceMDLQTSLLSTGPNASNISDGQDNLTLPGSPPRTGSVSYINIIMPSVFGTICLLGIVGNSTVIFAVVKKSKLHWCSNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMTIDRYLATVHPISSTKFRKPSMATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVKILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRTVSNAQTADEERTESKGT
UniProtP97639
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075228
IUPHAR280
DrugBankN/A

Ligand

NameCHEMBL3793395
Molecular formulaC25H24FN3O2
IUPAC name1-(2-cyclopentyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
Molecular weight417.484
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsSCHEMBL15112210
BDBM50161847
Inchi KeyAEPAWRLGXMNLFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24FN3O2/c1-28-23-14-20(10-11-22(23)27-25(28)18-4-2-3-5-18)29-13-12-21(15-24(29)30)31-16-17-6-8-19(26)9-7-17/h6-15,18H,2-5,16H2,1H3
PubChem CID89691216
ChEMBLCHEMBL3793395
IUPHARN/A
BindingDB50161847
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50460.0 nMPMID27112449ChEMBL

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