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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

NameCHEMBL3918007
Molecular formulaC30H34Cl3N5O2S
IUPAC name5-(4-chlorophenyl)-N-[[(3R,5R)-1-[(3,5-dichlorophenyl)methyl]-2-oxo-3-(2-piperidin-1-ylethyl)-1,4-diazepan-5-yl]methyl]-1,2-thiazole-3-carboxamide
Molecular weight635.045
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM232178
US9340517, 566
Inchi KeyAKWJSGJUTIIQIT-CLJLJLNGSA-N
Inchi IDInChI=1S/C30H34Cl3N5O2S/c31-22-6-4-21(5-7-22)28-17-27(36-41-28)29(39)34-18-25-8-13-38(19-20-14-23(32)16-24(33)15-20)30(40)26(35-25)9-12-37-10-2-1-3-11-37/h4-7,14-17,25-26,35H,1-3,8-13,18-19H2,(H,34,39)/t25-,26-/m1/s1
PubChem CID127054363
ChEMBLCHEMBL3918007
IUPHARN/A
BindingDB232178
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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