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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

NameCHEMBL3916858
Molecular formulaC29H38Cl2N4O2
IUPAC name3,4-dichloro-N-[[(3R,5R)-2-oxo-1-[(2R)-2-phenylbutyl]-3-(piperidin-1-ylmethyl)-1,4-diazepan-5-yl]methyl]benzamide
Molecular weight545.549
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM232051
US9340517, 439
Inchi KeyBRSDRELKGQZAJO-YEEURNOCSA-N
Inchi IDInChI=1S/C29H38Cl2N4O2/c1-2-21(22-9-5-3-6-10-22)19-35-16-13-24(18-32-28(36)23-11-12-25(30)26(31)17-23)33-27(29(35)37)20-34-14-7-4-8-15-34/h3,5-6,9-12,17,21,24,27,33H,2,4,7-8,13-16,18-20H2,1H3,(H,32,36)/t21-,24+,27+/m0/s1
PubChem CID127054243
ChEMBLCHEMBL3916858
IUPHARN/A
BindingDB232051
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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