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BioLiP

PDB CCD ID: NBI
Number of entries in BioLiP: 2
Chemical formula: C13 H10 N2 O3
InChI: InChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
InChIKey: RNFCQIOHQPIUOI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]
CACTVS 3.352[O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2
Name:2-nitro-N-phenylbenzamide
ChEMBL: CHEMBL1615112
ZINC: ZINC000000121139
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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