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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

NameBDBM50115367
Molecular formulaC35H43N11O5
IUPAC name2-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight697.801
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP-0.2
Synonyms(2S)-N-[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]-5-[(diaminomethylidene)amino]-2-({2-[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}formamido)pentanamide
2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {1-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butyl}-amide
Inchi KeyDOONUQVQAZPUIE-UNVCSADESA-N
Inchi IDInChI=1S/C35H43N11O5/c1-20(47)43-29(15-24-17-39-19-42-24)34(51)46-18-22-8-3-2-7-21(22)14-30(46)33(50)44-27(11-6-12-40-35(37)38)32(49)45-28(31(36)48)13-23-16-41-26-10-5-4-9-25(23)26/h2-5,7-10,16-17,19,27-30,41H,6,11-15,18H2,1H3,(H2,36,48)(H,39,42)(H,43,47)(H,44,50)(H,45,49)(H4,37,38,40)/t27-,28-,29-,30?/m0/s1
PubChem CID44334946
ChEMBLN/A
IUPHARN/A
BindingDB50115367
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
EC50<100000.0 nMPMID12086493BindingDB
EC5021300.0 nMPMID12086493BindingDB

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