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BioLiP

PDB CCD ID: 4HU
Number of entries in BioLiP: 1
Chemical formula: C6 H6 Br N O
InChI: InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
InChIKey: XDDGKNRSCDEWBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(nc(c1)Br)CO
CACTVS 3.385OCc1cccc(Br)n1
ACDLabs 12.01c1(cccc(Br)n1)CO
Name:(6-bromopyridin-2-yl)methanol
ZINC: ZINC000012496091
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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