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Ligand

NameCHEMBL343959
Molecular formulaC26H39N7O7
IUPAC name2-[(3S,6S,9R,12S,15R)-6-(1H-imidazol-5-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight561.64
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP0.2
SynonymsBDBM50407609
Inchi KeyDYIGIBWBWGRQGK-CWVBCOCOSA-N
Inchi IDInChI=1S/C26H39N7O7/c1-13(2)8-16-22(36)29-17(9-15-11-27-12-28-15)23(37)31-18(10-20(34)35)26(40)33-7-5-6-19(33)24(38)32-21(14(3)4)25(39)30-16/h11-14,16-19,21H,5-10H2,1-4H3,(H,27,28)(H,29,36)(H,30,39)(H,31,37)(H,32,38)(H,34,35)/t16-,17+,18+,19-,21+/m1/s1
PubChem CID44357378
ChEMBLCHEMBL343959
IUPHARN/A
BindingDB50407609
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
72003Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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