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GPCR

NameMelanocortin receptor 5
SpeciesRattus norvegicus (Rat)
GeneMc5r
SynonymMC5 receptor
MC5-R
MC5R
melanocortin receptor 5
DiseaseN/A for non-human GPCRs
Length325
Amino acid sequenceMNSSSHLTLLDLTLNASEDNILGQNVNNKSSACEDMGIAVEVFLTLGLVSLLENILVIGAIVKNKNLHSPMYFFVGSLAVADMLVSMSNAWETITIYLINNKHVVIADTFVRHIDNVFDSMICISVVASMCSLLAIAVDRYITIFYALRYHHIMTARRSGVIIACIWTFCISCGIVFIIYYESKYVIVCLISMFFTMLFFMVSLYIHMFLLARNHVKRIAASPRYNSVRQRASMKGAITLTMLLGIFIVCWSPFFLHLILMISCPQNVYCACFMSYFNMYLILIMCNSVIDPLIYALRSQEMRRTFKEIICCHGFRRTCTLLGRY
UniProtP35345
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2701
IUPHARN/A
DrugBankN/A

Ligand

NameTHIQ
Molecular formulaC33H41ClN6O2
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight589.181
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.9
SynonymsKB-70894
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-trazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
HLCHESOMJVGDSJ-LOYHVIPDSA-N
[ Show all ]
Inchi KeyHLCHESOMJVGDSJ-LOYHVIPDSA-N
Inchi IDInChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
PubChem CID9938402
ChEMBLCHEMBL339053
IUPHAR1338
BindingDB50119368
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
Activation58.0 %PMID12361385ChEMBL
EC50<3000.0 nMPMID12361385BindingDB,ChEMBL
IC501575.0 nMPMID12361385BindingDB,ChEMBL

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