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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

NameCHEMBL92481
Molecular formulaC40H46ClN11O5
IUPAC name(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight796.33
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP2.2
Synonyms(S)-2-{(S)-2-[(S)-2-[2-(4-Chloro-phenyl)-acetylamino]-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
BDBM50131258
Inchi KeyAUPOJQYWSLXSAP-CUPIEXAXSA-N
Inchi IDInChI=1S/C40H46ClN11O5/c41-27-14-12-25(13-15-27)18-35(53)49-34(20-28-22-45-23-48-28)39(57)52-33(17-24-7-2-1-3-8-24)38(56)50-31(11-6-16-46-40(43)44)37(55)51-32(36(42)54)19-26-21-47-30-10-5-4-9-29(26)30/h1-5,7-10,12-15,21-23,31-34,47H,6,11,16-20H2,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t31-,32-,33-,34-/m0/s1
PubChem CID44323029
ChEMBLCHEMBL92481
IUPHARN/A
BindingDB50131258
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
EC509.3 nMPMID12873485BindingDB,ChEMBL
Ki20.0 nMPMID12873485BindingDB,ChEMBL

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