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BioLiP

PDB CCD ID: GT0
Number of entries in BioLiP: 4
Chemical formula: C9 H13 N O3
InChI: InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3
InChIKey: SVINQHQHARVZFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)CO)COC)O
CACTVS 3.370COCc1c(O)c(C)ncc1CO
ACDLabs 12.01Oc1c(c(cnc1C)CO)COC
Name:5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol;
ginkgotoxin
ChEMBL: CHEMBL1076875
ZINC: ZINC000011535715
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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