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Ligand

NameCHEMBL2096721
Molecular formulaC70H85N17O16
IUPAC name(5S,8S,11S,14S,17S,20R,23S,26S)-1-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-11-(2-amino-2-oxoethyl)-5,20-dibenzyl-17-(3-carbamimidamidopropyl)-14-(1H-indol-3-ylmethyl)-2,8,23-trimethyl-4,7,10,13,16,19,22,25,28-nonaoxo-1,3,6,9,12,15,18,21,24-nonazacyclooctacosane-2-carboxylic acid
Molecular weight1420.55
Hydrogen bond acceptor18
Hydrogen bond donor19
XlogP-2.2
SynonymsBDBM50410398
Inchi KeyAHYBINIDLPZASF-QHCAJBRISA-N
Inchi IDInChI=1S/C70H85N17O16/c1-37-59(93)81-50(30-39-13-6-4-7-14-39)65(99)80-49(19-12-28-76-69(74)75)62(96)84-52(33-43-36-77-48-18-11-10-17-46(43)48)66(100)85-53(34-56(72)90)63(97)78-38(2)60(94)82-51(31-40-15-8-5-9-16-40)67(101)86-70(3,68(102)103)87(55(58(73)92)32-42-22-26-45(89)27-23-42)57(91)35-54(64(98)79-37)83-61(95)47(71)29-41-20-24-44(88)25-21-41/h4-11,13-18,20-27,36-38,47,49-55,77,88-89H,12,19,28-35,71H2,1-3H3,(H2,72,90)(H2,73,92)(H,78,97)(H,79,98)(H,80,99)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,100)(H,86,101)(H,102,103)(H4,74,75,76)/t37-,38-,47-,49-,50+,51-,52-,53-,54-,55-,70?/m0/s1
PubChem CID91900700
ChEMBLN/A
IUPHARN/A
BindingDB50410398
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5975Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
5976Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
5977Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
5978Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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