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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

NameCHEMBL62228
Molecular formulaC25H32N6O2
IUPAC name(2S)-N-(4-aminobutyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
Molecular weight448.571
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.4
SynonymsBDBM50129180
N-(4-Amino-butyl)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-ureido]-3-(1H-indol-3-yl)-propionamide
Inchi KeyBLQZIVNHYRDWGF-QHCPKHFHSA-N
Inchi IDInChI=1S/C25H32N6O2/c26-12-5-6-13-27-24(32)23(15-20-16-28-22-10-4-3-9-21(20)22)29-25(33)30-31-14-11-18-7-1-2-8-19(18)17-31/h1-4,7-10,16,23,28H,5-6,11-15,17,26H2,(H,27,32)(H2,29,30,33)/t23-/m0/s1
PubChem CID44305770
ChEMBLCHEMBL62228
IUPHARN/A
BindingDB50129180
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC504900.0 nMPMID12781199BindingDB,ChEMBL

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