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BioLiP Library

PDB CCD ID: 8YX
Number of entries in BioLiP: 0
Chemical formula: C6 H5 Br2 N O
InChI: InChI=1S/C6H5Br2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
InChIKey: UFWSOGOVXJBJDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc(c(c1N)O)Br)Br
CACTVS 3.385Nc1cc(Br)cc(Br)c1O
Name:2-azanyl-4,6-bis(bromanyl)phenol
ZINC: ZINC000001605512
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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