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BioLiP

PDB CCD ID: Y6M
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,9-12H,2,4H2
InChIKey: PZQZHZIVKKFGLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1CCc2ccc(O)cc2N1
ACDLabs 12.01Oc1ccc2c(c1)NC(O)CC2
CACTVS 3.385O[CH]1CCc2ccc(O)cc2N1
OpenEye OEToolkits 1.7.6c1cc2c(cc1O)NC(CC2)O
Name:(2R)-1,2,3,4-tetrahydroquinoline-2,7-diol
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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