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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

NameSCHEMBL2347332
Molecular formulaC34H42N6O2
IUPAC nameN-[[(3S,5S)-3-[3-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
Molecular weight566.75
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM231747
US9340517, 133
CHEMBL3896317
Inchi KeyBHYXUUNNKRKTBD-SMCANUKXSA-N
Inchi IDInChI=1S/C34H42N6O2/c35-34(36)37-18-9-16-31-33(42)40(23-30(24-10-3-1-4-11-24)25-12-5-2-6-13-25)19-17-29(39-31)22-38-32(41)28-20-26-14-7-8-15-27(26)21-28/h1-8,10-15,28-31,39H,9,16-23H2,(H,38,41)(H4,35,36,37)/t29-,31-/m0/s1
PubChem CID44206024
ChEMBLCHEMBL3896317
IUPHARN/A
BindingDB231747
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50>10000.0 nM, NoneBindingDB,ChEMBL

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