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BioLiP

PDB CCD ID: INE
Number of entries in BioLiP: 23
Chemical formula: C7 H4 Br N3 O2
InChI: InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
InChIKey: NFSTZPMYAZRZPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)c1cccc2c1nnc2Br
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br
CACTVS 3.341[O-][N+](=O)c1cccc2c(Br)n[nH]c12
Name:3-BROMO-7-NITROINDAZOLE
ChEMBL: CHEMBL479014
DrugBank: DB01997
ZINC: ZINC000003870920
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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