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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

NameCHEMBL3958082
Molecular formulaC33H42N4O2
IUPAC nameN-[[(3R,5R)-3-(3-aminopropyl)-1-[cyclohexyl(phenyl)methyl]-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
Molecular weight526.725
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.5
SynonymsUS9340517, 342
BDBM231955
Inchi KeyBGANJFJLMKQWLV-KCUXUGRMSA-N
Inchi IDInChI=1S/C33H42N4O2/c34-20-9-16-30-33(39)37(31(25-11-3-1-4-12-25)26-13-5-2-6-14-26)21-19-29(36-30)23-35-32(38)28-18-17-24-10-7-8-15-27(24)22-28/h1,3-4,7-8,10-12,15,17-18,22,26,29-31,36H,2,5-6,9,13-14,16,19-21,23,34H2,(H,35,38)/t29-,30-,31?/m1/s1
PubChem CID127054172
ChEMBLCHEMBL3958082
IUPHARN/A
BindingDB231955
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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