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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

NameSCHEMBL2348895
Molecular formulaC34H39F3N6O2
IUPAC name(E)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight620.721
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.4
SynonymsUS9340517, 200
CHEMBL3942434
BDBM231813
Inchi KeyASGHMYKNPGYVBC-DMIICRCOSA-N
Inchi IDInChI=1S/C34H39F3N6O2/c35-34(36,37)27-16-13-24(14-17-27)15-18-31(44)41-22-28-19-21-43(32(45)30(42-28)12-7-20-40-33(38)39)23-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-18,28-30,42H,7,12,19-23H2,(H,41,44)(H4,38,39,40)/b18-15+/t28-,30-/m0/s1
PubChem CID57854043
ChEMBLCHEMBL3942434
IUPHARN/A
BindingDB231813
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50>100.0 nM, NoneBindingDB,ChEMBL

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