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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

NameCHEMBL3912035
Molecular formulaC33H41ClN4O3
IUPAC name6-chloro-N-[[(3R,5R)-3-[2-(2-methylpropanoylamino)ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
Molecular weight577.166
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.8
SynonymsBDBM232149
US9340517, 537
Inchi KeyAPCGCRRUENCFST-OENWMMNHSA-N
Inchi IDInChI=1S/C33H41ClN4O3/c1-4-23(24-8-6-5-7-9-24)21-38-17-15-29(37-30(33(38)41)14-16-35-31(39)22(2)3)20-36-32(40)27-11-10-26-19-28(34)13-12-25(26)18-27/h5-13,18-19,22-23,29-30,37H,4,14-17,20-21H2,1-3H3,(H,35,39)(H,36,40)/t23-,29-,30-/m1/s1
PubChem CID127054335
ChEMBLCHEMBL3912035
IUPHARN/A
BindingDB232149
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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