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Ligand

NameCHEMBL2370967
Molecular formulaC81H105N21O15
IUPAC name(3S)-3-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1612.86
Hydrogen bond acceptor19
Hydrogen bond donor20
XlogP0.2
SynonymsCHEMBL409574
BDBM50134950
H-Tyr-Val-Nle-Gly-His-D-Nal(2'')-Arg-D-Nal(2'')-Asp-Arg-Phe-Gly-NH2
Inchi KeyAMDDROJLTSPHMK-NKFGBWFHSA-N
Inchi IDInChI=1S/C81H105N21O15/c1-4-5-21-58(97-79(117)69(46(2)3)102-70(108)57(82)36-48-26-30-56(103)31-27-48)71(109)92-44-67(105)94-64(40-55-42-88-45-93-55)77(115)100-62(38-49-24-28-51-17-9-11-19-53(51)34-49)75(113)95-60(23-14-33-90-81(86)87)74(112)99-63(39-50-25-29-52-18-10-12-20-54(52)35-50)76(114)101-65(41-68(106)107)78(116)96-59(22-13-32-89-80(84)85)73(111)98-61(72(110)91-43-66(83)104)37-47-15-7-6-8-16-47/h6-12,15-20,24-31,34-35,42,45-46,57-65,69,103H,4-5,13-14,21-23,32-33,36-41,43-44,82H2,1-3H3,(H2,83,104)(H,88,93)(H,91,110)(H,92,109)(H,94,105)(H,95,113)(H,96,116)(H,97,117)(H,98,111)(H,99,112)(H,100,115)(H,101,114)(H,102,108)(H,106,107)(H4,84,85,89)(H4,86,87,90)/t57-,58-,59-,60-,61-,62+,63+,64-,65-,69-/m0/s1
PubChem CID73345514
ChEMBLCHEMBL2370967
IUPHARN/A
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.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8761Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
8759Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
8760Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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