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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

NameCHEMBL3978574
Molecular formulaC31H42Cl2N4O2
IUPAC name3,4-dichloro-N-[[(3R,5R)-3-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]benzamide
Molecular weight573.603
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM232092
US9340517, 480
Inchi KeyAGILIWXVJIFSMA-MLUWVZQDSA-N
Inchi IDInChI=1S/C31H42Cl2N4O2/c1-3-23(24-10-5-4-6-11-24)21-37-17-14-26(20-34-30(38)25-12-13-27(32)28(33)19-25)35-29(31(37)39)15-18-36-16-8-7-9-22(36)2/h4-6,10-13,19,22-23,26,29,35H,3,7-9,14-18,20-21H2,1-2H3,(H,34,38)/t22-,23+,26+,29+/m0/s1
PubChem CID127054282
ChEMBLCHEMBL3978574
IUPHARN/A
BindingDB232092
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>10.0 nM, NoneBindingDB,ChEMBL

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