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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

NameCHEMBL191120
Molecular formulaC44H65N13O8
IUPAC name(2S)-2-[[2-[[(2S)-2-acetamidohexanoyl]amino]acetyl]amino]-6-amino-N-[(2R)-1-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-(1H-indol-3-ylmethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
Molecular weight904.087
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP-0.5
SynonymsBDBM50410261
Inchi KeyAPASEPBZJFOHSF-SKXFTCKDSA-N
Inchi IDInChI=1S/C44H65N13O8/c1-3-4-16-33(53-28(2)58)40(62)52-25-38(60)54-34(18-10-11-20-45)41(63)56-36(22-29-13-6-5-7-14-29)42(64)55-35(19-12-21-49-44(47)48)43(65)57(27-39(61)51-24-37(46)59)26-30-23-50-32-17-9-8-15-31(30)32/h5-9,13-15,17,23,33-36,50H,3-4,10-12,16,18-22,24-27,45H2,1-2H3,(H2,46,59)(H,51,61)(H,52,62)(H,53,58)(H,54,60)(H,55,64)(H,56,63)(H4,47,48,49)/t33-,34-,35-,36+/m0/s1
PubChem CID11251566
ChEMBLCHEMBL191120
IUPHARN/A
BindingDB50410261
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
EC50316.0 nMPMID15974575BindingDB
EC50316.23 nMPMID15974575ChEMBL
IC50501.0 nMPMID15974575BindingDB
IC50501.19 nMPMID15974575ChEMBL

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