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BioLiP

PDB CCD ID: 5V4
Number of entries in BioLiP: 5
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1
InChIKey: YKXXBEOXRPZVCC-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc2c(c1)C[C@H]([C@@H]2O)O
CACTVS 3.385O[C@@H]1Cc2ccccc2[C@H]1O
CACTVS 3.385O[CH]1Cc2ccccc2[CH]1O
OpenEye OEToolkits 2.0.4c1ccc2c(c1)CC(C2O)O
Name:(1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol
ZINC: ZINC000002037698
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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