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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

NameSCHEMBL2349021
Molecular formulaC33H38Cl2N6O2
IUPAC name(E)-N-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-3-(2,4-dichlorophenyl)prop-2-enamide
Molecular weight621.607
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP4.8
SynonymsBDBM231773
US9340517, 160
CHEMBL3922824
Inchi KeyBQDYRGULYZIWNJ-FMDWORLUSA-N
Inchi IDInChI=1S/C33H38Cl2N6O2/c34-26-15-13-25(29(35)20-26)14-16-31(42)39-21-27-17-19-41(32(43)30(40-27)12-7-18-38-33(36)37)22-28(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,20,27-28,30,40H,7,12,17-19,21-22H2,(H,39,42)(H4,36,37,38)/b16-14+/t27-,30-/m0/s1
PubChem CID44207882
ChEMBLCHEMBL3922824
IUPHARN/A
BindingDB231773
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50>100.0 nM, NoneBindingDB,ChEMBL

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