SEQ2FUN

BioLiP

PDB CCD ID: 8NO
Number of entries in BioLiP: 1
Chemical formula: C21 H20 N2 O2
InChI: InChI=1S/C21H20N2O2/c22-21(24)19-11-4-5-12-20(19)23-17-9-6-10-18(15-17)25-14-13-16-7-2-1-3-8-16/h1-12,15,23H,13-14H2,(H2,22,24)
InChIKey: VVRUXFPJOVUDCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N
CACTVS 3.385NC(=O)c1ccccc1Nc2cccc(OCCc3ccccc3)c2
Name:2-[[3-(2-phenylethoxy)phenyl]amino]benzamide
ChEMBL: CHEMBL2152613
ZINC: ZINC000095578829
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).