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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

NameCHEMBL407845
Molecular formulaC51H65N15O9S2
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]-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 weight1096.3
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP-0.6
Synonyms1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino)methylaminopropyl]-6-(1-amino-2-phenylethylcarboxamido)-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-carboxam
BDBM50141035
Inchi KeyHGUGDVPBNFFDAR-LGWFJKSVSA-N
Inchi IDInChI=1S/C51H65N15O9S2/c1-28(67)42(43(53)68)66-50(75)41-26-77-76-25-40(64-44(69)34(52)19-29-11-4-2-5-12-29)49(74)63-39(22-32-24-56-27-59-32)48(73)61-37(20-30-13-6-3-7-14-30)46(71)60-36(17-10-18-57-51(54)55)45(70)62-38(47(72)65-41)21-31-23-58-35-16-9-8-15-33(31)35/h2-9,11-16,23-24,27-28,34,36-42,58,67H,10,17-22,25-26,52H2,1H3,(H2,53,68)(H,56,59)(H,60,71)(H,61,73)(H,62,70)(H,63,74)(H,64,69)(H,65,72)(H,66,75)(H4,54,55,57)/t28-,34+,36+,37-,38-,39+,40+,41-,42+/m1/s1
PubChem CID44285236
ChEMBLCHEMBL407845
IUPHARN/A
BindingDB50141035
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
EC503e-06 nMPMID14998337ChEMBL
EC503e-06 nMPMID14998337BindingDB

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