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Ligand

NameCHEMBL135906
Molecular formulaC29H40N6O8
IUPAC name2-[(2S,5R,8S,11R,14S)-5-(hydroxymethyl)-14-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular weight600.673
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP1.4
SynonymsBDBM50407602
Inchi KeyCDXSGCCZHDUESR-WGNYYXNJSA-N
Inchi IDInChI=1S/C29H40N6O8/c1-14(2)9-19-25(39)31-20(10-16-12-30-18-8-6-5-7-17(16)18)26(40)32-21(11-23(37)38)27(41)34-22(13-36)28(42)35-24(15(3)4)29(43)33-19/h5-8,12,14-15,19-22,24,30,36H,9-11,13H2,1-4H3,(H,31,39)(H,32,40)(H,33,43)(H,34,41)(H,35,42)(H,37,38)/t19-,20+,21+,22-,24+/m1/s1
PubChem CID44357356
ChEMBLCHEMBL135906
IUPHARN/A
BindingDB50407602
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
39669Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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