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GPCR

NameMelanocortin receptor 5
SpeciesHomo sapiens (Human)
GeneMC5R
Synonymmelanocortin receptor 5
MC5R
MC5-R
MC5 receptor
MC-2
DiseaseAcne vulgaris
Seborrhea
Length325
Amino acid sequenceMNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGAIVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDSMICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILYSESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTVTMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQEMRKTFKEIICCRGFRIACSFPRRD
UniProtP33032
Protein Data BankN/A
GPCR-HGmod modelP33032
3D structure modelThis predicted structure model is from GPCR-EXP P33032.
BioLiPN/A
Therapeutic Target DatabaseT95302
ChEMBLCHEMBL4608
IUPHAR286
DrugBankN/A

Ligand

NameCHEMBL249277
Molecular formulaC33H44ClN7O2
IUPAC name(3R)-N-[(2S)-3-(4-chlorophenyl)-1-[4-hexyl-4-[(1-methyltetrazol-5-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight606.212
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50220700
(R)-N-((S)-3-(4-chlorophenyl)-1-(4-hexyl-4-((1-methyl-1H-tetrazol-5-yl)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Inchi KeyAZJWJBAXGKDQCY-WDYNHAJCSA-N
Inchi IDInChI=1S/C33H44ClN7O2/c1-3-4-5-8-15-33(22-30-37-38-39-40(30)2)16-18-41(19-17-33)32(43)29(20-24-11-13-27(34)14-12-24)36-31(42)28-21-25-9-6-7-10-26(25)23-35-28/h6-7,9-14,28-29,35H,3-5,8,15-23H2,1-2H3,(H,36,42)/t28-,29+/m1/s1
PubChem CID44441645
ChEMBLCHEMBL249277
IUPHARN/A
BindingDB50220700
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity15.0 %PMID17768046ChEMBL
EC50684.0 nMPMID17768046BindingDB,ChEMBL

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