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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

NameCHEMBL455826
Molecular formulaC41H49N11O5
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-benzylphenyl)propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight775.915
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP1.9
SynonymsAc-His-DPhe(pBz)-Arg-Trp-NH2
BDBM50252895
Inchi KeyIAXQJICNQNNYCU-KFIZHRIMSA-N
Inchi IDInChI=1S/C41H49N11O5/c1-25(53)49-36(21-30-23-45-24-48-30)40(57)52-35(19-28-15-13-27(14-16-28)18-26-8-3-2-4-9-26)39(56)50-33(12-7-17-46-41(43)44)38(55)51-34(37(42)54)20-29-22-47-32-11-6-5-10-31(29)32/h2-6,8-11,13-16,22-24,33-36,47H,7,12,17-21H2,1H3,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t33-,34-,35+,36-/m0/s1
PubChem CID25108140
ChEMBLCHEMBL455826
IUPHARN/A
BindingDB50252895
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
EC50770.0 nMPMID18800761BindingDB,ChEMBL
FC6.0 -PMID18800761ChEMBL

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