SEQ2FUN

BioLiP

PDB CCD ID: 9W9
Number of entries in BioLiP: 0
Chemical formula: C7 H5 N O
InChI: InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
InChIKey: SGHBRHKBCLLVCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc(c1)C#N
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)C#N
Name:3-oxidanylbenzenecarbonitrile;
Darunavir;
TMC114;
UIC-94017
ChEMBL: CHEMBL294016
ZINC: ZINC000000388758
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).