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BioLiP

PDB CCD ID: 70T
Number of entries in BioLiP: 0
Chemical formula: C9 H8 N2 O2
InChI: InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
InChIKey: IDJGRXQMAHESOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-]
CACTVS 3.385Cc1[nH]c2ccc(cc2c1)[N+]([O-])=O
ACDLabs 12.01c2c1cc(ccc1nc2C)[N+]([O-])=O
Name:2-methyl-5-nitro-1H-indole
ZINC: ZINC000000086757
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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