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GPCR

NameMelanocortin receptor 5
SpeciesMus musculus (Mouse)
GeneMc5r
SynonymMC5 receptor
MC5-R
MC5R
melanocortin receptor 5
DiseaseN/A for non-human GPCRs
Length325
Amino acid sequenceMNSSSTLTVLNLTLNASEDGILGSNVKNKSLACEEMGIAVEVFLTLGLVSLLENILVIGAIVKNKNLHSPMYFFVGSLAVADMLVSMSNAWETVTIYLLNNKHLVIADTFVRHIDNVFDSMICISVVASMCSLLAIAVDRYITIFYALRYHHIMTARRSGVIIACIWTFCISCGIVFIIYYESKYVIICLISMFFTMLFFMVSLYIHMFLLARNHVKRIAASPRYNSVRQRTSMKGAITLTMLLGIFIVCWSPFFLHLILMISCPQNVYCSCFMSYFNMYLILIMCNSVIDPLIYALRSQEMRRTFKEIVCCHGFRRPCRLLGGY
UniProtP41149
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4489
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL190080
Molecular formulaC46H69N13O8
IUPAC name(2S)-2-[[2-[[(2S)-2-acetamidohexanoyl]amino]acetyl]amino]-6-amino-N-[(2R)-1-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-[4-(diaminomethylideneamino)butyl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
Molecular weight932.141
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP0.2
SynonymsBDBM50410247
Inchi KeyGKWBRFGCZAYVJV-XEZIGOATSA-N
Inchi IDInChI=1S/C46H69N13O8/c1-3-4-17-36(55-31(2)60)43(65)54-28-40(62)56-37(19-10-11-21-47)44(66)57-38(25-32-14-6-5-7-15-32)45(67)59(23-13-12-22-51-46(49)50)30-42(64)58(29-41(63)53-27-39(48)61)24-20-33-26-52-35-18-9-8-16-34(33)35/h5-9,14-16,18,26,36-38,52H,3-4,10-13,17,19-25,27-30,47H2,1-2H3,(H2,48,61)(H,53,63)(H,54,65)(H,55,60)(H,56,62)(H,57,66)(H4,49,50,51)/t36-,37-,38+/m0/s1
PubChem CID11274575
ChEMBLCHEMBL190080
IUPHARN/A
BindingDB50410247
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5012.59 nMPMID15974575ChEMBL
EC5013.0 nMPMID15974575BindingDB
IC50501.0 nMPMID15974575BindingDB
IC50501.19 nMPMID15974575ChEMBL

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