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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

NameCHEMBL411378
Molecular formulaC52H67N15O9S2
IUPAC name(4S,7R,10S,13R,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2S)-2-amino-3-phenylpropanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-7-(1H-indol-3-ylmethyl)-16-[(2-methyl-1H-imidazol-5-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1110.32
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP-0.2
SynonymsBDBM50141029
1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino)methylaminopropyl]-6-(1-amino-2-phenylethylcarboxamido)-12-benzyl-18-(1H-3-indolylmethyl)-9-(2-methyl-1H-5-imidazolylmethyl)-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosane-1
Inchi KeyHEOQNUAQOHARQX-UCJIMMPYSA-N
Inchi IDInChI=1S/C52H67N15O9S2/c1-28(68)43(44(54)69)67-51(76)42-27-78-77-26-41(65-45(70)35(53)20-30-12-5-3-6-13-30)50(75)64-40(23-33-25-58-29(2)60-33)49(74)62-38(21-31-14-7-4-8-15-31)47(72)61-37(18-11-19-57-52(55)56)46(71)63-39(48(73)66-42)22-32-24-59-36-17-10-9-16-34(32)36/h3-10,12-17,24-25,28,35,37-43,59,68H,11,18-23,26-27,53H2,1-2H3,(H2,54,69)(H,58,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,57)/t28-,35+,37+,38-,39-,40+,41+,42-,43+/m1/s1
PubChem CID44285102
ChEMBLCHEMBL411378
IUPHARN/A
BindingDB50141029
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
EC5031.0 nMPMID14998337BindingDB,ChEMBL

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