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GPCR

NameMelanocortin receptor 5
SpeciesMus musculus (Mouse)
GeneMc5r
SynonymMC5 receptor
MC5-R
MC5R
melanocortin receptor 5
DiseaseN/A for non-human GPCRs
Length325
Amino acid sequenceMNSSSTLTVLNLTLNASEDGILGSNVKNKSLACEEMGIAVEVFLTLGLVSLLENILVIGAIVKNKNLHSPMYFFVGSLAVADMLVSMSNAWETVTIYLLNNKHLVIADTFVRHIDNVFDSMICISVVASMCSLLAIAVDRYITIFYALRYHHIMTARRSGVIIACIWTFCISCGIVFIIYYESKYVIICLISMFFTMLFFMVSLYIHMFLLARNHVKRIAASPRYNSVRQRTSMKGAITLTMLLGIFIVCWSPFFLHLILMISCPQNVYCSCFMSYFNMYLILIMCNSVIDPLIYALRSQEMRRTFKEIVCCHGFRRPCRLLGGY
UniProtP41149
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4489
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL589468
Molecular formulaC44H55N11O7
IUPAC name2-[(6S,9S,12R)-12,16-dibenzyl-9-[3-(diaminomethylideneamino)propyl]-6-(1H-indol-3-ylmethyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexazacyclohenicos-4-yl]acetamide
Molecular weight849.994
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP0.4
SynonymsBDBM50310318
2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dibenzyl-9-(3-guanidinopropyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexaazacyclohenicosan-4-yl)acetamide
Inchi KeyDVNWJYATAPNBQI-PDHQKIGBSA-N
Inchi IDInChI=1S/C44H55N11O7/c45-37(56)27-54-22-21-48-38(57)18-9-19-40(59)55(26-30-13-5-2-6-14-30)28-39(58)51-35(23-29-11-3-1-4-12-29)42(61)52-34(17-10-20-49-44(46)47)41(60)53-36(43(54)62)24-31-25-50-33-16-8-7-15-32(31)33/h1-8,11-16,25,34-36,50H,9-10,17-24,26-28H2,(H2,45,56)(H,48,57)(H,51,58)(H,52,61)(H,53,60)(H4,46,47,49)/t34-,35+,36-/m0/s1
PubChem CID46232223
ChEMBLCHEMBL589468
IUPHARN/A
BindingDB50310318
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
EC50310.0 nMPMID20056544BindingDB,ChEMBL

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