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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

NameCHEMBL3948861
Molecular formulaC31H44Cl2N4O2
IUPAC name3,4-dichloro-N-[[(3R,5R)-3-[2-[methyl(pentyl)amino]ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]benzamide
Molecular weight575.619
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM232081
US9340517, 469
Inchi KeyAOBVCTOCMJRLRQ-YRKKDBSBSA-N
Inchi IDInChI=1S/C31H44Cl2N4O2/c1-4-6-10-17-36(3)18-16-29-31(39)37(22-23(5-2)24-11-8-7-9-12-24)19-15-26(35-29)21-34-30(38)25-13-14-27(32)28(33)20-25/h7-9,11-14,20,23,26,29,35H,4-6,10,15-19,21-22H2,1-3H3,(H,34,38)/t23-,26-,29-/m1/s1
PubChem CID127054272
ChEMBLCHEMBL3948861
IUPHARN/A
BindingDB232081
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>100.0 nM, NoneBindingDB,ChEMBL

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