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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

NameCHEMBL248700
Molecular formulaC27H31ClN4O2
IUPAC name(3R)-N-[(2S)-3-(4-chlorophenyl)-1-[4-(cyanomethyl)-4-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight479.021
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
Synonyms(R)-N-((S)-3-(4-chlorophenyl)-1-(4-(cyanomethyl)-4-methylpiperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
BDBM50220709
Inchi KeyANKLLTJQGBUBDD-RPWUZVMVSA-N
Inchi IDInChI=1S/C27H31ClN4O2/c1-27(10-13-29)11-14-32(15-12-27)26(34)24(16-19-6-8-22(28)9-7-19)31-25(33)23-17-20-4-2-3-5-21(20)18-30-23/h2-9,23-24,30H,10-12,14-18H2,1H3,(H,31,33)/t23-,24+/m1/s1
PubChem CID44441634
ChEMBLCHEMBL248700
IUPHARN/A
BindingDB50220709
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity3.0 %PMID17768046ChEMBL

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