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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

NameCHEMBL3931459
Molecular formulaC29H42N4O2
IUPAC nameN-[[(3R,5R)-3-(3-aminopropyl)-1-[(2,6-dimethylcyclohexyl)methyl]-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
Molecular weight478.681
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM232013
US9340517, 401
Inchi KeyALCHGVJBUISZGZ-QHDUBMQXSA-N
Inchi IDInChI=1S/C29H42N4O2/c1-20-7-5-8-21(2)26(20)19-33-16-14-25(32-27(29(33)35)11-6-15-30)18-31-28(34)24-13-12-22-9-3-4-10-23(22)17-24/h3-4,9-10,12-13,17,20-21,25-27,32H,5-8,11,14-16,18-19,30H2,1-2H3,(H,31,34)/t20?,21?,25-,26?,27-/m1/s1
PubChem CID127054206
ChEMBLCHEMBL3931459
IUPHARN/A
BindingDB232013
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50>10000.0 nM, NoneBindingDB,ChEMBL

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