SEQ2FUN

BioLiP

PDB CCD ID: SWA
Number of entries in BioLiP: 13
Chemical formula: C8 H15 N O3
InChI: InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKey: FXUAIOOAOAVCGD-WCTZXXKLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(C2C(C(CN2C1)O)O)O
OpenEye OEToolkits 1.5.0C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O
CACTVS 3.341O[C@@H]1CCCN2C[C@@H](O)[C@@H](O)[C@@H]12
CACTVS 3.341O[CH]1CCCN2C[CH](O)[CH](O)[CH]12
ACDLabs 10.04OC1CCCN2C1C(O)C(O)C2
Name:1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL;
SWAINSONINE
ChEMBL: CHEMBL371197
DrugBank: DB02034
ZINC: ZINC000003875041
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).