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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

NameSCHEMBL2351596
Molecular formulaC26H30Cl4N4O2
IUPAC name3,4-dichloro-N-[[(3S,5S)-1-[(3,5-dichlorophenyl)methyl]-2-oxo-3-(piperidin-1-ylmethyl)-1,4-diazepan-5-yl]methyl]benzamide
Molecular weight572.352
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.4
SynonymsUS9340517, 367
CHEMBL3927412
BDBM231979
Inchi KeyBEJFVMYSYMLGCF-URXFXBBRSA-N
Inchi IDInChI=1S/C26H30Cl4N4O2/c27-19-10-17(11-20(28)13-19)15-34-9-6-21(14-31-25(35)18-4-5-22(29)23(30)12-18)32-24(26(34)36)16-33-7-2-1-3-8-33/h4-5,10-13,21,24,32H,1-3,6-9,14-16H2,(H,31,35)/t21-,24-/m0/s1
PubChem CID46897057
ChEMBLCHEMBL3927412
IUPHARN/A
BindingDB231979
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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