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BioLiP

PDB CCD ID: 0HV
Number of entries in BioLiP: 4
Chemical formula: C17 H12 N2 O4
InChI: InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)
InChIKey: ZLIDMWNTWSBTSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[O-][N+](=O)c1c3c(c(cc1)Nc2cc(ccc2)C(=O)O)cccc3
CACTVS 3.370OC(=O)c1cccc(Nc2ccc(c3ccccc23)[N+]([O-])=O)c1
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O
Name:3-[(4-nitronaphthalen-1-yl)amino]benzoic acid
ChEMBL: CHEMBL2023820
ZINC: ZINC000084634844
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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