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BioLiP

PDB CCD ID: Q5Q
Number of entries in BioLiP: 1
Chemical formula: C13 H9 Br2 N O
InChI: InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3
InChIKey: LFOHIKGNXVHWSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O
Name:3,6-dibromo-1-(hydroxymethyl)carbazole;
3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol
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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