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GPCR

NameMelanocortin receptor 3
SpeciesRattus norvegicus (Rat)
GeneMc3r
Synonymgamma-MSH receptor
MC3 receptor
MC3-R
melanocortin receptor 3
DiseaseN/A for non-human GPCRs
Length323
Amino acid sequenceMNSSCCPSSSYPTLPNLSQHPAAPSASNRSGSGFCEQVFIKPEVFLALGIVSLMENILVILAVVRNGNLHSPMYFFLCSLAAADMLVSLSNSLETIMIVVINSDSLTLEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALSLIVAIWVCCGICGVMFIVYSESKMVIVCLITMFFAMVLLMGTLYIHMFLFARLHVQRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFKEILCGCNGMNVG
UniProtP32244
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4023
IUPHAR284
DrugBankN/A

Ligand

NameSHU9119
Molecular formulaC54H71N15O9
IUPAC name(2S)-2-acetamido-N-[(3S,6S,13E)-14-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(2,3-dihydro-1H-indol-3-yl)propanoyl]amino]-3-(4H-imidazol-4-ylmethyl)-2,5,8,15-tetraoxo-1,4,9-triazacyclopentadec-13-en-6-yl]hexanamide
Molecular weight1074.26
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP0.6
SynonymsAC1O5TWM
GTPL1325
Shu 9119
Acetyl-norisoleucyl(4)-cyclo(aspartyl(5)-2'-naphthylalanyl(7)-lysyl(10))alpha-msh(4-10)-amide
L-Lysinamide, N-acetyl-L-norleucyl-L-alpha-aspartyl-L-histidyl-3-(2-naphthalenyl)-D-alanyl-L-arginyl-L-tryptophyl-, cyclic (2-7)-peptide
[ Show all ]
Inchi KeyORTUTLYEGOSCRP-ATNXLWBUSA-N
Inchi IDInChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)68-45-27-46(71)59-21-10-9-17-41(50(75)69-53(78)44(67-52(45)77)26-36-29-58-30-62-36)65-51(76)43(25-35-28-61-39-16-8-7-14-37(35)39)66-49(74)42(18-11-22-60-54(56)57)64-47(72)38(55)24-32-19-20-33-12-5-6-13-34(33)23-32/h5-8,12-14,16-17,19-20,23,29-30,35-36,38,40,42-45,61H,3-4,9-11,15,18,21-22,24-28,55H2,1-2H3,(H,59,71)(H,63,70)(H,64,72)(H,65,76)(H,66,74)(H,67,77)(H,68,73)(H4,56,57,60)(H,69,75,78)/b41-17+/t35?,36?,38-,40+,42+,43+,44+,45+/m1/s1
PubChem CID6440621
ChEMBLN/A
IUPHAR1325
BindingDBN/A
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
Ki0.879 nMPMID10493100IUPHAR

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