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BioLiP

PDB CCD ID: 7RI
Number of entries in BioLiP: 3
Chemical formula: C9 H8 Br N3 O
InChI: InChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKey: LZKFBFNVDKRHMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1c2cc(ccc2[nH]n1)Br
CACTVS 3.385CNC(=O)c1n[nH]c2ccc(Br)cc12
Name:5-bromanyl-N-methyl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, 5-bromo-N-methyl-
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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