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Ligand

NameCHEMBL335126
Molecular formulaC28H36N6O10
IUPAC name2-[(2S,5R,8S,11R,14S)-8-(carboxymethyl)-5-(hydroxymethyl)-14-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular weight616.628
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-0.5
SynonymsBDBM50407620
Inchi KeyHAJUVHWNUVCXEM-NXNFSMPISA-N
Inchi IDInChI=1S/C28H36N6O10/c1-13(2)7-17-24(40)31-18(8-14-11-29-16-6-4-3-5-15(14)16)25(41)32-20(10-23(38)39)27(43)34-21(12-35)28(44)33-19(9-22(36)37)26(42)30-17/h3-6,11,13,17-21,29,35H,7-10,12H2,1-2H3,(H,30,42)(H,31,40)(H,32,41)(H,33,44)(H,34,43)(H,36,37)(H,38,39)/t17-,18+,19+,20+,21-/m1/s1
PubChem CID44357159
ChEMBLCHEMBL335126
IUPHARN/A
BindingDB50407620
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
109914Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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