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GPCR

NameMelanocortin receptor 3
SpeciesMus musculus (Mouse)
GeneMc3r
Synonymgamma-MSH receptor
MC3 receptor
MC3-R
melanocortin receptor 3
DiseaseN/A for non-human GPCRs
Length323
Amino acid sequenceMNSSCCLSSVSPMLPNLSEHPAAPPASNRSGSGFCEQVFIKPEVFLALGIVSLMENILVILAVVRNGNLHSPMYFFLCSLAAADMLVSLSNSLETIMIAVINSDSLTLEDQFIQHMDNIFDSMICISLVASICNLLAIAIDRYVTIFYALRYHSIMTVRKALTLIGVIWVCCGICGVMFIIYSESKMVIVCLITMFFAMVLLMGTLYIHMFLFARLHVQRIAVLPPAGVVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFKEILCGCNSMNLG
UniProtP33033
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4774
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL589516
Molecular formulaC43H53N11O7
IUPAC name2-[(6S,9S,15S)-13,15-dibenzyl-9-[3-(diaminomethylideneamino)propyl]-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicos-4-yl]acetamide
Molecular weight835.967
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP0.0
SynonymsBDBM50310320
2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dibenzyl-9-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosan-4-yl)acetamide
Inchi KeyHJUBFBDOZXYEPW-IMKBVMFZSA-N
Inchi IDInChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-38(57)51-34(22-28-10-3-1-4-11-28)42(61)54(25-29-12-5-2-6-13-29)27-39(58)50-33(16-9-19-48-43(45)46)40(59)52-35(41(53)60)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,58)(H,51,57)(H,52,59)(H4,45,46,48)/t33-,34-,35-/m0/s1
PubChem CID46232221
ChEMBLCHEMBL589516
IUPHARN/A
BindingDB50310320
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
EC50<100.0 nMPMID20056544BindingDB,ChEMBL

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