SEQ2FUN

BioLiP

PDB CCD ID: NDH
Number of entries in BioLiP: 1
Chemical formula: C10 H10 O2
InChI: InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1
InChIKey: QPUHWUSUBHNZCG-VHSXEESVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1C=Cc2ccccc2[CH]1O
CACTVS 3.341O[C@H]1C=Cc2ccccc2[C@H]1O
ACDLabs 10.04OC2C=Cc1c(cccc1)C2O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=CC(C2O)O
Name:(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE;
(1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL
DrugBank: DB08264
ZINC: ZINC000000388541
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).