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GPCR

NameMelanocortin receptor 4
SpeciesMus musculus (Mouse)
GeneMc4r
SynonymMC4 receptor
MC4-R
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMNSTHHHGMYTSLHLWNRSSYGLHGNASESLGKGHPDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVSGVLFIIYSDSSAVIICLISMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGTNMKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPLIYALRSQELRKTFKEIICFYPLGGICELSSRY
UniProtP56450
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3719
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL349795
Molecular formulaC30H40N10O5S
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight652.775
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP-0.4
SynonymsAc-His-D-Phe-Arg-2Thi-NH2
BDBM50122065
Inchi KeyGPEVQQNWXZZSBB-NDBXHCKUSA-N
Inchi IDInChI=1S/C30H40N10O5S/c1-18(41)37-25(14-20-16-34-17-36-20)29(45)40-24(13-19-7-3-2-4-8-19)28(44)38-22(10-5-11-35-30(32)33)27(43)39-23(26(31)42)15-21-9-6-12-46-21/h2-4,6-9,12,16-17,22-25H,5,10-11,13-15H2,1H3,(H2,31,42)(H,34,36)(H,37,41)(H,38,44)(H,39,43)(H,40,45)(H4,32,33,35)/t22-,23+,24-,25-/m0/s1
PubChem CID44369140
ChEMBLCHEMBL349795
IUPHARN/A
BindingDB50122065
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC508120.0 nMPMID12477357BindingDB,ChEMBL

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