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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

NameCHEMBL411400
Molecular formulaC53H69N15O9S2
IUPAC name(4S,7R,10S,13R,16R,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1124.35
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP0.0
SynonymsBDBM50141019
H-D-Phe-c[Cys-His-D-Phe-Arg-Trp-Pen]-Thr-NH2
Inchi KeyHJGHPWYMORIUAG-FFQQBTGJSA-N
Inchi IDInChI=1S/C53H69N15O9S2/c1-29(69)42(44(55)70)67-51(77)43-53(2,3)79-78-27-41(66-45(71)35(54)21-30-13-6-4-7-14-30)50(76)65-40(24-33-26-58-28-61-33)48(74)63-38(22-31-15-8-5-9-16-31)47(73)62-37(19-12-20-59-52(56)57)46(72)64-39(49(75)68-43)23-32-25-60-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,60,69H,12,19-24,27,54H2,1-3H3,(H2,55,70)(H,58,61)(H,62,73)(H,63,74)(H,64,72)(H,65,76)(H,66,71)(H,67,77)(H,68,75)(H4,56,57,59)/t29-,35-,37+,38-,39-,40-,41+,42+,43+/m1/s1
PubChem CID44285238
ChEMBLCHEMBL411400
IUPHARN/A
BindingDB50141019
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
EC5064.0 nMPMID14998337BindingDB,ChEMBL

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