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Ligand

NameCHEMBL308208
Molecular formulaC28H36N6O7
IUPAC name2-[(3S,6S,9S,12R,15S)-12-(1H-indol-3-ylmethyl)-6-methyl-2,5,8,11,14-pentaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-9-yl]acetic acid
Molecular weight568.631
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP0.8
SynonymsBDBM50000734
[14-(1H-Indol-3-ylmethyl)-5-isopropyl-8-methyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-11-yl]-acetic acid
Inchi KeyHGWPPPNZQIZVHJ-YFJNJSKQSA-N
Inchi IDInChI=1S/C28H36N6O7/c1-14(2)23-28(41)34-10-6-9-21(34)27(40)32-19(11-16-13-29-18-8-5-4-7-17(16)18)26(39)31-20(12-22(35)36)25(38)30-15(3)24(37)33-23/h4-5,7-8,13-15,19-21,23,29H,6,9-12H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,35,36)/t15-,19+,20-,21-,23-/m0/s1
PubChem CID44308286
ChEMBLCHEMBL308208
IUPHARN/A
BindingDB50000734
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
114620Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
114619Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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