SEQ2FUN

BioLiP

PDB CCD ID: LLX
Number of entries in BioLiP: 3
Chemical formula: C19 H16 N2 O
InChI: InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
InChIKey: ZWLFHHHQRUYIBT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3
CACTVS 3.370Nc1ccc(cc1NC(=O)c2ccccc2)c3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N
Name:N-(4-aminobiphenyl-3-yl)benzamide
ChEMBL: CHEMBL271741
ZINC: ZINC000029126954
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).