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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

NameCHEMBL3954657
Molecular formulaC33H39ClN4O2
IUPAC name(E)-N-[2-[(3R,5R)-3-(2-aminoethyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]propan-2-yl]-3-(4-chlorophenyl)prop-2-enamide
Molecular weight559.151
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM232054
US9340517, 442
Inchi KeyBWOGHILKJXWDHT-RKWUZFRJSA-N
Inchi IDInChI=1S/C33H39ClN4O2/c1-33(2,37-31(39)18-15-24-13-16-27(34)17-14-24)30-20-22-38(32(40)29(36-30)19-21-35)23-28(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-18,28-30,36H,19-23,35H2,1-2H3,(H,37,39)/b18-15+/t29-,30-/m1/s1
PubChem CID127054246
ChEMBLCHEMBL3954657
IUPHARN/A
BindingDB232054
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50>1000.0 nM, NoneBindingDB,ChEMBL

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