SEQ2FUN

BioLiP

PDB CCD ID: 12J
Number of entries in BioLiP: 8
Chemical formula: C16 H16 I N O2
InChI: InChI=1S/C16H16INO2/c1-11(2)20-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19)
InChIKey: NBAUMFNNRDRNGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I
CACTVS 3.352CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1
Name:2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide;
2-Iodo-N-(3-isopropoxyphenyl)benzamide
ZINC: ZINC000014796278
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).