SEQ2FUN

BioLiP

PDB CCD ID: BOL
Number of entries in BioLiP: 3
Chemical formula: C13 H10 I N O
InChI: InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKey: LJOZMWRYMKECFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Ic1ccccc1C(=O)Nc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)NC(=O)c2ccccc2I
Name:2-iodo-N-phenylbenzamide
ChEMBL: CHEMBL1357627
ZINC: ZINC000000061524
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).