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BioLiP

PDB CCD ID: BB4
Number of entries in BioLiP: 3
Chemical formula: C10 H9 Br N2 O2
InChI: InChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14)
InChIKey: ZDQORGWUODGWFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370ONC(=O)Cc1c[nH]c2ccc(Br)cc12
OpenEye OEToolkits 1.7.0c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO
ACDLabs 12.01Brc1cc2c(cc1)ncc2CC(=O)NO
Name:2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
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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