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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

NameCHEMBL415200
Molecular formulaC50H63N13O9S2
IUPAC name(4S,7R,13S,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-11-(3-aminopropyl)-13-benzyl-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1054.26
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP-0.2
SynonymsBDBM50141030
1N-(1-carbamoyl-2-hydroxypropyl)-6-(1-amino-2-phenylethylcarboxamido)-14-(3-aminopropyl)-12-benzyl-9-(1H-5-imidazolylmethyl)-18-(1H-3-indolylmethyl)-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosane-1-carboxamide
Inchi KeyDWRYDXIVRLJQFS-KWGBNJDESA-N
Inchi IDInChI=1S/C50H63N13O9S2/c1-29(64)43(44(53)66)62-49(71)41-27-74-73-26-40(60-45(67)35(52)19-30-11-4-2-5-12-30)48(70)58-38(22-33-24-54-28-56-33)47(69)59-39(20-31-13-6-3-7-14-31)50(72)63(18-10-17-51)25-42(65)57-37(46(68)61-41)21-32-23-55-36-16-9-8-15-34(32)36/h2-9,11-16,23-24,28-29,35,37-41,43,55,64H,10,17-22,25-27,51-52H2,1H3,(H2,53,66)(H,54,56)(H,57,65)(H,58,70)(H,59,69)(H,60,67)(H,61,68)(H,62,71)/t29-,35-,37-,38+,39+,40+,41-,43+/m1/s1
PubChem CID44285388
ChEMBLCHEMBL415200
IUPHARN/A
BindingDB50141030
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
EC50660.0 nMPMID14998337BindingDB,ChEMBL

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