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GPCR

NameMelanocortin receptor 4
SpeciesHomo sapiens (Human)
GeneMC4R
SynonymMC4-R
MC4 receptor
DiseaseObesity; Sexual dysfunction
Obesity; Diabetes
Obesity
Metabolic disorders
Sexual dysfunction
[ Show all ]
Length332
Amino acid sequenceMVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
UniProtP32245
Protein Data BankN/A
GPCR-HGmod modelP32245
3D structure modelThis predicted structure model is from GPCR-EXP P32245.
BioLiPN/A
Therapeutic Target DatabaseT72458
ChEMBLCHEMBL259
IUPHAR285
DrugBankN/A

Ligand

NameCHEMBL3895073
Molecular formulaC50H70N18O9
IUPAC name(2S,5R,8S,11S,14S,22S)-22-[[(2R)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-benzyl-8-[3-(diaminomethylideneamino)propyl]-2-(1H-imidazol-5-ylmethyl)-11-(1H-indol-3-ylmethyl)-3,6,9,12,17,23-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-14-carboxamide
Molecular weight1067.23
Hydrogen bond acceptor12
Hydrogen bond donor15
XlogP-2.6
SynonymsUS9458201, 98
BDBM253651
SCHEMBL13063955
Inchi KeyAQGKZYJIULATAA-BTFCHKKZSA-N
Inchi IDInChI=1S/C50H70N18O9/c1-28(69)62-35(14-8-20-58-49(52)53)43(72)64-36-15-7-19-57-41(70)18-17-34(42(51)71)63-47(76)39(23-30-25-60-33-13-6-5-12-32(30)33)67-44(73)37(16-9-21-59-50(54)55)65-46(75)38(22-29-10-3-2-4-11-29)66-48(77)40(68-45(36)74)24-31-26-56-27-61-31/h2-6,10-13,25-27,34-40,60H,7-9,14-24H2,1H3,(H2,51,71)(H,56,61)(H,57,70)(H,62,69)(H,63,76)(H,64,72)(H,65,75)(H,66,77)(H,67,73)(H,68,74)(H4,52,53,58)(H4,54,55,59)/t34-,35+,36-,37-,38+,39-,40-/m0/s1
PubChem CID89007934
ChEMBLCHEMBL3895073
IUPHARN/A
BindingDB253651
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki4.0 nM, NoneBindingDB,ChEMBL

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