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Ligand

NameCHEMBL138067
Molecular formulaC30H40N6O7
IUPAC name(3R,6S,9R,12S,15R)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-3-carboxylic acid
Molecular weight596.685
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.0
SynonymsBDBM50407588
Inchi KeyBJBFASHBXRYVQT-QWQGWLCTSA-N
Inchi IDInChI=1S/C30H40N6O7/c1-15(2)12-20-25(37)32-21(13-17-14-31-19-9-6-5-8-18(17)19)26(38)35-24(30(42)43)29(41)36-11-7-10-22(36)27(39)34-23(16(3)4)28(40)33-20/h5-6,8-9,14-16,20-24,31H,7,10-13H2,1-4H3,(H,32,37)(H,33,40)(H,34,39)(H,35,38)(H,42,43)/t20-,21+,22-,23+,24-/m1/s1
PubChem CID44357175
ChEMBLN/A
IUPHARN/A
BindingDB50407588
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
24932Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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