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Ligand

NameGelliusine A
Molecular formulaC30H30Br2N6O
IUPAC name2,6-bis[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]-3-(2-aminoethyl)-1H-indol-5-ol
Molecular weight650.419
Hydrogen bond acceptor4
Hydrogen bond donor7
XlogP4.2
Synonyms2,6-Bis(2-amino-1-(6-bromo-1H-indol-3-yl)ethyl)-3-(2-aminoethyl)-1H-indol-5-ol
Gelliusine B
AC1L4IR8
1H-Indol-5-ol, 2,6-bis(2-amino-1-(6-bromo-1H-indol-3-yl)ethyl)-3-(2-aminoethyl)-
CTK4D0256
[ Show all ]
Inchi KeyCYAJKOUHPRYFRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30Br2N6O/c31-15-1-3-17-24(13-36-26(17)7-15)22(11-34)21-9-28-20(10-29(21)39)19(5-6-33)30(38-28)23(12-35)25-14-37-27-8-16(32)2-4-18(25)27/h1-4,7-10,13-14,22-23,36-39H,5-6,11-12,33-35H2
PubChem CID157833
ChEMBLCHEMBL519922
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
53313B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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