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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

NameCHEMBL3973070
Molecular formulaC32H38Cl2N4O2
IUPAC name3,4-dichloro-N-[[(3R,5R)-3-[2-(N-methylanilino)ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]benzamide
Molecular weight581.582
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM232060
US9340517, 448
Inchi KeyAMRWKBNCRRQGMN-XUQXIDOOSA-N
Inchi IDInChI=1S/C32H38Cl2N4O2/c1-3-23(24-10-6-4-7-11-24)22-38-19-16-26(21-35-31(39)25-14-15-28(33)29(34)20-25)36-30(32(38)40)17-18-37(2)27-12-8-5-9-13-27/h4-15,20,23,26,30,36H,3,16-19,21-22H2,1-2H3,(H,35,39)/t23-,26-,30-/m1/s1
PubChem CID127054252
ChEMBLCHEMBL3973070
IUPHARN/A
BindingDB232060
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>1000.0 nM, NoneBindingDB,ChEMBL

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