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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

NameCHEMBL264190
Molecular formulaC34H43N11O5
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight685.79
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP-0.3
Synonyms(S)-2-{(R)-2-[(S)-2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
Ac-His-DPhe-Arg-Trp-NH(2)
2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
Ac-His-D-Phe-Arg-Trp-NH(2)
JRH-887-9
[ Show all ]
Inchi KeyDFCJPPDAOZROBS-FKWFRFQNSA-N
Inchi IDInChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27-,28+,29-/m0/s1
PubChem CID11093672
ChEMBLCHEMBL264190
IUPHARN/A
BindingDB50034922
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
EC5038.0 nMPMID26005535BindingDB,ChEMBL
EC5055.5 nMPMID26959173ChEMBL
EC5056.0 nMPMID26959173BindingDB
EC5064.0 nMPMID25699138BindingDB,ChEMBL
EC50126.0 nMPMID18800761BindingDB,ChEMBL
EC50156.0 nMPMID12086493, PMID12061882BindingDB,ChEMBL
EC50160.0 nMPMID14643357BindingDB,ChEMBL
EC50171.0 nMPMID15857138BindingDB,ChEMBL
EC50195.0 nMPMID11405661BindingDB,ChEMBL
EC505400.0 nMPMID12477357ChEMBL
FC1.0 -PMID18800761ChEMBL
Inhibition60.0 %PMID26959173ChEMBL
Kd199.53 nMPMID18800761ChEMBL
Kd200.0 nMPMID18800761BindingDB
Ratio EC501.0 -PMID26959173ChEMBL
Ratio IC501.0 -PMID26959173ChEMBL

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