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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

NameCHEMBL3906338
Molecular formulaC30H43FN4O2
IUPAC nameN-[[(3R,5R)-1-(2-ethylbutyl)-2-oxo-3-(2-piperidin-1-ylethyl)-1,4-diazepan-5-yl]methyl]-6-fluoronaphthalene-2-carboxamide
Molecular weight510.698
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM232001
US9340517, 389
Inchi KeyBDLQPOKUIAQPOP-VSGBNLITSA-N
Inchi IDInChI=1S/C30H43FN4O2/c1-3-22(4-2)21-35-17-12-27(33-28(30(35)37)13-16-34-14-6-5-7-15-34)20-32-29(36)25-9-8-24-19-26(31)11-10-23(24)18-25/h8-11,18-19,22,27-28,33H,3-7,12-17,20-21H2,1-2H3,(H,32,36)/t27-,28-/m1/s1
PubChem CID127054197
ChEMBLCHEMBL3906338
IUPHARN/A
BindingDB232001
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
IC50>100.0 nM, NoneBindingDB,ChEMBL

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