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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

NameCHEMBL3975125
Molecular formulaC33H43ClN4O4S
IUPAC nameN-[[(3R,5R)-3-[2-(butylsulfonylamino)ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]-6-chloronaphthalene-2-carboxamide
Molecular weight627.241
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.8
SynonymsBDBM232175
US9340517, 563
Inchi KeyBLCUZMOUSGKIFR-RYHYHUEASA-N
Inchi IDInChI=1S/C33H43ClN4O4S/c1-3-5-19-43(41,42)36-17-15-31-33(40)38(23-24(4-2)25-9-7-6-8-10-25)18-16-30(37-31)22-35-32(39)28-12-11-27-21-29(34)14-13-26(27)20-28/h6-14,20-21,24,30-31,36-37H,3-5,15-19,22-23H2,1-2H3,(H,35,39)/t24-,30-,31-/m1/s1
PubChem CID127054361
ChEMBLCHEMBL3975125
IUPHARN/A
BindingDB232175
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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