SEQ2FUN

BioLiP

PDB CCD ID: T7U
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N O2
InChI: InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13)
InChIKey: UWYBOEZQGCFECQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccccc1C(=O)NC2CC2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C(=O)NC2CC2)O
ACDLabs 12.01O=C(NC1CC1)c1ccccc1O
Name:N-cyclopropyl-2-hydroxybenzamide
ZINC: ZINC000000340344
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).