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BioLiP

PDB CCD ID: UUG
Number of entries in BioLiP: 2
Chemical formula: C8 H9 Br O2
InChI: InChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3
InChIKey: HBEIHPSICGGZIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(Br)ccc1CO
OpenEye OEToolkits 2.0.7COc1cc(ccc1CO)Br
ACDLabs 12.01c1(c(OC)cc(cc1)Br)CO
Name:(4-bromo-2-methoxyphenyl)methanol
ZINC: ZINC000012359394
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)(download the PDF file).
  • 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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