SEQ2FUN

BioLiP

PDB CCD ID: BXB
Number of entries in BioLiP: 16
Chemical formula: C15 H11 Cl2 N O3
InChI: InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)
InChIKey: NMKJFZCBCIUYHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl
ACDLabs 11.02
CACTVS 3.352		Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2
Name:N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
ChEMBL: CHEMBL465952
ZINC: ZINC000000355432
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).