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GPCR

NameMelanocortin receptor 3
SpeciesHomo sapiens (Human)
GeneMC3R
SynonymMC3-R
melanocortin receptor 3
MC3 receptor
gamma-MSH receptor
DiseaseSexual dysfunction; Obesity; Type 2 diabetes
Length323
Amino acid sequenceMNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
UniProtP41968
Protein Data BankN/A
GPCR-HGmod modelP41968
3D structure modelThis predicted structure model is from GPCR-EXP P41968.
BioLiPN/A
Therapeutic Target DatabaseT76846
ChEMBLCHEMBL4644
IUPHAR284
DrugBankN/A

Ligand

NameCHEMBL314401
Molecular formulaC46H55N13O7
IUPAC name(4S,7R,10S,13R,16R)-7-benzyl-10-[3-(diaminomethylideneamino)propyl]-4-(1H-imidazol-5-ylmethyl)-13-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-3,6,9,12,15,21-hexazabicyclo[21.4.0]heptacosa-1(27),23,25-triene-16-carboxamide
Molecular weight902.03
Hydrogen bond acceptor9
Hydrogen bond donor11
XlogP1.2
SynonymsBDBM50114085
(O)C-(C6H4)-C(O)-c[His-D-Phe-Arg-Trp-Lys]-NH2) (MK-6)
Inchi KeyCCSNUTWWOMOIBR-GSPXPSQGSA-N
Inchi IDInChI=1S/C46H55N13O7/c47-39(60)34-17-8-9-19-51-40(61)31-14-4-5-15-32(31)41(62)57-38(23-29-25-50-26-54-29)45(66)58-36(21-27-11-2-1-3-12-27)43(64)56-35(18-10-20-52-46(48)49)42(63)59-37(44(65)55-34)22-28-24-53-33-16-7-6-13-30(28)33/h1-7,11-16,24-26,34-38,53H,8-10,17-23H2,(H2,47,60)(H,50,54)(H,51,61)(H,55,65)(H,56,64)(H,57,62)(H,58,66)(H,59,63)(H4,48,49,52)/t34-,35+,36-,37-,38+/m1/s1
PubChem CID44323233
ChEMBLCHEMBL314401
IUPHARN/A
BindingDB50114085
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
ACT76.0 %PMID12036373ChEMBL
EC5013.0 nMPMID12036373BindingDB,ChEMBL
Ki280.0 nMPMID12036373BindingDB,ChEMBL

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