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GPCR

NameMelanocortin receptor 3
SpeciesMus musculus (Mouse)
GeneMc3r
Synonymgamma-MSH receptor
MC3 receptor
MC3-R
melanocortin receptor 3
DiseaseN/A for non-human GPCRs
Length323
Amino acid sequenceMNSSCCLSSVSPMLPNLSEHPAAPPASNRSGSGFCEQVFIKPEVFLALGIVSLMENILVILAVVRNGNLHSPMYFFLCSLAAADMLVSLSNSLETIMIAVINSDSLTLEDQFIQHMDNIFDSMICISLVASICNLLAIAIDRYVTIFYALRYHSIMTVRKALTLIGVIWVCCGICGVMFIIYSESKMVIVCLITMFFAMVLLMGTLYIHMFLFARLHVQRIAVLPPAGVVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFKEILCGCNSMNLG
UniProtP33033
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4774
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3577976
Molecular formulaC82H110N22O19S2
IUPAC name(4R,7S,10S,13S,16S,19S,22S,25R)-25-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-13-(2-amino-2-oxoethyl)-7,16,19-tribenzyl-22-(3-carbamimidamidopropyl)-10-methyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxamide
Molecular weight1772.04
Hydrogen bond acceptor23
Hydrogen bond donor25
XlogP-1.2
SynonymsBDBM50089420
Inchi KeyHUXCMOSLMQJMGG-IJXJEDSYSA-N
Inchi IDInChI=1S/C82H110N22O19S2/c1-43(68(111)95-55(67(84)110)23-15-33-89-81(85)86)91-72(115)57(38-51-25-29-53(107)30-26-51)101-79(122)64-42-125-124-41-63(103-77(120)59(39-52-27-31-54(108)32-28-52)98-70(113)45(3)93-80(123)66(46(4)105)94-47(5)106)78(121)96-56(24-16-34-90-82(87)88)71(114)99-60(36-49-19-11-7-12-20-49)74(117)100-61(37-50-21-13-8-14-22-50)75(118)102-62(40-65(83)109)73(116)92-44(2)69(112)97-58(76(119)104-64)35-48-17-9-6-10-18-48/h6-14,17-22,25-32,43-46,55-64,66,105,107-108H,15-16,23-24,33-42H2,1-5H3,(H2,83,109)(H2,84,110)(H,91,115)(H,92,116)(H,93,123)(H,94,106)(H,95,111)(H,96,121)(H,97,112)(H,98,113)(H,99,114)(H,100,117)(H,101,122)(H,102,118)(H,103,120)(H,104,119)(H4,85,86,89)(H4,87,88,90)/t43-,44-,45-,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-/m0/s1
PubChem CID122178146
ChEMBLCHEMBL3577976
IUPHARN/A
BindingDB50089420
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd794.33 nMPMID25898270ChEMBL
Ki790.0 nMPMID25898270BindingDB,ChEMBL

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