SEQ2FUN

BioLiP

PDB CCD ID: QX0
Number of entries in BioLiP: 1
Chemical formula: C14 H10 N2 O2
InChI: InChI=1S/C14H10N2O2/c15-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)14(17)18/h1-8,16H,(H,17,18)
InChIKey: BWUIKGLLPINDDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1Nc2cccc(c2)C#N
ACDLabs 12.01O=C(O)c1ccccc1Nc1cccc(C#N)c1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C#N
Name:2-(3-cyanoanilino)benzoic acid
ChEMBL: CHEMBL23101
ZINC: ZINC000028260086
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).