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Ligand

NameCHEMBL343062
Molecular formulaC30H40N6O7S
IUPAC name2-[(3S,6S,9R,12S,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-17-thia-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight628.745
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP2.2
SynonymsBDBM50407600
Inchi KeyHCGFJTFHFRFAHG-JAWPICGBSA-N
Inchi IDInChI=1S/C30H40N6O7S/c1-15(2)9-20-26(39)32-21(10-17-12-31-19-8-6-5-7-18(17)19)27(40)34-22(11-24(37)38)30(43)36-14-44-13-23(36)28(41)35-25(16(3)4)29(42)33-20/h5-8,12,15-16,20-23,25,31H,9-11,13-14H2,1-4H3,(H,32,39)(H,33,42)(H,34,40)(H,35,41)(H,37,38)/t20-,21+,22+,23-,25+/m1/s1
PubChem CID44357311
ChEMBLCHEMBL343062
IUPHARN/A
BindingDB50407600
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
111248Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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