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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

NameCHEMBL237937
Molecular formulaC22H22ClN3O2
IUPAC nameN-(3-aminopropyl)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-2-(1H-indol-3-yl)-2-oxoacetamide
Molecular weight395.887
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.4
Synonyms(Z)-N-(3-aminopropyl)-N-(2-chloro-3-phenylallyl)-2-(1H-indol-3-yl)-2-oxoacetamide
BDBM50217656
Inchi KeyBSOAWEMWSFGNBX-LGMDPLHJSA-N
Inchi IDInChI=1S/C22H22ClN3O2/c23-17(13-16-7-2-1-3-8-16)15-26(12-6-11-24)22(28)21(27)19-14-25-20-10-5-4-9-18(19)20/h1-5,7-10,13-14,25H,6,11-12,15,24H2/b17-13-
PubChem CID10178845
ChEMBLCHEMBL237937
IUPHARN/A
BindingDB50217656
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4300.0 nMPMID17618123BindingDB,ChEMBL

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