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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

NameCHEMBL190551
Molecular formulaC45H67N13O8
IUPAC name(2S)-2-[[2-[[(2S)-2-acetamidohexanoyl]amino]acetyl]amino]-6-amino-N-[(2R)-1-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-[3-(diaminomethylideneamino)propyl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
Molecular weight918.114
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-0.2
SynonymsBDBM50410252
Inchi KeyAIGFLHWPHRJXFZ-AGSXMJPOSA-N
Inchi IDInChI=1S/C45H67N13O8/c1-3-4-16-35(54-30(2)59)42(64)53-27-39(61)55-36(18-10-11-20-46)43(65)56-37(24-31-13-6-5-7-14-31)44(66)58(22-12-21-50-45(48)49)29-41(63)57(28-40(62)52-26-38(47)60)23-19-32-25-51-34-17-9-8-15-33(32)34/h5-9,13-15,17,25,35-37,51H,3-4,10-12,16,18-24,26-29,46H2,1-2H3,(H2,47,60)(H,52,62)(H,53,64)(H,54,59)(H,55,61)(H,56,65)(H4,48,49,50)/t35-,36-,37+/m0/s1
PubChem CID11251592
ChEMBLCHEMBL190551
IUPHARN/A
BindingDB50410252
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
EC50158.0 nMPMID15974575BindingDB
EC50158.49 nMPMID15974575ChEMBL
IC501995.0 nMPMID15974575BindingDB
IC501995.26 nMPMID15974575ChEMBL

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