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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

NameCHEMBL394394
Molecular formulaC39H48FN3O2
IUPAC nameN-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-fluorophenyl)methyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
Molecular weight609.83
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP7.9
SynonymsBDBM50217744
N-(2-fluorobenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide
Inchi KeyBMQKGKGCMMZMEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H48FN3O2/c40-36-9-3-1-6-30(36)26-43(32-20-14-28(15-21-32)24-27-12-18-31(41)19-13-27)39(45)11-5-8-35-34-7-2-4-10-37(34)42-38(35)25-29-16-22-33(44)23-17-29/h1-4,6-7,9-10,16-17,22-23,27-28,31-32,42,44H,5,8,11-15,18-21,24-26,41H2
PubChem CID44434696
ChEMBLCHEMBL394394
IUPHARN/A
BindingDB50217744
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
Ki36000.0 nMPMID17618123BindingDB,ChEMBL

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