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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

NameCHEMBL3958801
Molecular formulaC33H37ClN4O3
IUPAC nameN-[[(2R,7R)-7-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]methyl]-4-naphthalen-2-yl-3-oxo-1,4-diazepan-2-yl]methyl]cyclohexanecarboxamide
Molecular weight573.134
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP6.3
SynonymsBDBM232033
US9340517, 421
Inchi KeyASDYWEVQEBNMQM-IECBLJKQSA-N
Inchi IDInChI=1S/C33H37ClN4O3/c34-27-14-10-23(11-15-27)12-17-31(39)35-21-28-18-19-38(29-16-13-24-6-4-5-9-26(24)20-29)33(41)30(37-28)22-36-32(40)25-7-2-1-3-8-25/h4-6,9-17,20,25,28,30,37H,1-3,7-8,18-19,21-22H2,(H,35,39)(H,36,40)/b17-12+/t28-,30-/m1/s1
PubChem CID127054226
ChEMBLCHEMBL3958801
IUPHARN/A
BindingDB232033
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>10000.0 nM, NoneBindingDB,ChEMBL

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