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BioLiP

PDB CCD ID: WQJ
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2
InChIKey: MDASSZXVCIBITR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cnc2CCOCc2c1
ACDLabs 12.01Nc2cnc1CCOCc1c2
OpenEye OEToolkits 2.0.7c1c(cnc2c1COCC2)N
Name:7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
ZINC: ZINC000034478730
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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