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BioLiP

PDB CCD ID: GL8
Number of entries in BioLiP: 1
Chemical formula: C32 H37 N2 O5
InChI: InChI=1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1
InChIKey: VLGAHTYYCHWLNI-BHRZLAGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc2c3c1OC4C3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=CC(C4)O
CACTVS 3.341COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C]56C=C[CH](O)C[CH]5Oc1c26
ACDLabs 10.04O=C2c1ccccc1C(=O)N2CCCCCCCC[N+]5=Cc6c3c(OC4C3(C=CC(O)C4)CC5)c(OC)cc6
OpenEye OEToolkits 1.5.0COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O
CACTVS 3.341COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]56C=C[C@H](O)C[C@@H]5Oc1c26
Name:GALANTHAMINE DERIVATIVE;
(4AR,6S,8AR)-11-[8-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OCTYL]-6-HYDROXY-3-METHOXY-5,6,9,10-TETRAHYDRO-4AH-[1]BENZOFURO[3A,3,2-EF][2]BENZAZEPIN-11-IUM
ChEMBL: CHEMBL490866
DrugBank: DB02673
ZINC: ZINC000003813965
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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