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GPCR

NameMelanocortin receptor 4
SpeciesRattus norvegicus (Rat)
GeneMc4r
SynonymMC4 receptor
MC4-R
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMNSTHHHGMYTSLHLWNRSSHGLHGNASESLGKGHSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVSGVLFIIYSDSSAVIICLITMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGANMKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPLIYALRSQELRKTFKEIICFYPLGGICELPGRY
UniProtP70596
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2700
IUPHAR285
DrugBankN/A

Ligand

NameCHEMBL439560
Molecular formulaC29H36ClF3N4O2
IUPAC name1-[(2R)-1-[4-[2-[(1S)-1-amino-3-methylbutyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]pyrrolidin-2-one
Molecular weight565.078
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50214685
1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifluoromethylphenyl]-piperazin-1-yl}-1-(4-dichlorobenzyl)-2-oxoethyl]pyrrolidin-2-one
Inchi KeyGWQJQMUYAJRYAV-AZGAKELHSA-N
Inchi IDInChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
PubChem CID23661656
ChEMBLCHEMBL439560
IUPHARN/A
BindingDB50214685
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.1 nMPMID17544282BindingDB,ChEMBL

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