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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

NameCHEMBL267020
Molecular formulaC28H31N5O
IUPAC name(2S)-2-amino-5-(diaminomethylideneamino)-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)pentanamide
Molecular weight453.59
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.5
Synonyms2-Amino-5-guanidino-pentanoic acid naphthalen-1-ylmethyl-naphthalen-2-ylmethyl-amide
BDBM50111167
N-(1-Naphthylmethyl)-N-(2-naphthylmethyl)-L-argininamide
2-Amino-5-guanidino-pentanoic acid naphthalen-2-ylmethyl-naphthalen-1-ylmethyl-amide
Inchi KeyASPDVTPYWFOWKG-SANMLTNESA-N
Inchi IDInChI=1S/C28H31N5O/c29-26(13-6-16-32-28(30)31)27(34)33(18-20-14-15-21-7-1-2-9-23(21)17-20)19-24-11-5-10-22-8-3-4-12-25(22)24/h1-5,7-12,14-15,17,26H,6,13,16,18-19,29H2,(H4,30,31,32)/t26-/m0/s1
PubChem CID44265496
ChEMBLCHEMBL267020
IUPHARN/A
BindingDB50111167
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7943.28 nMPMID12801221ChEMBL
Ki9000.0 nMPMID11909711BindingDB,ChEMBL
Ki18000.0 nMPMID11909711BindingDB,ChEMBL

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