SEQ2FUN

BioLiP

PDB CCD ID: 0Q6
Number of entries in BioLiP: 1
Chemical formula: C14 H12 Br N O2
InChI: InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKey: WNYIDDKTEYNPSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N
CACTVS 3.385NC(=O)c1ccc(OCc2cccc(Br)c2)cc1
Name:4-[(3-bromophenyl)methoxy]benzamide
ChEMBL: CHEMBL4293771
ZINC: ZINC000014344452

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).