SEQ2FUN

BioLiP

PDB CCD ID: H0M
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N2 O2
InChI: InChI=1S/C13H12N2O2/c16-11-5-3-4-10(8-11)9-13(17)15-12-6-1-2-7-14-12/h1-8,16H,9H2,(H,14,15,17)
InChIKey: XKXNXBRQAPWSNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc(CC(=O)Nc2ccccn2)c1
ACDLabs 12.01N(C(Cc1cc(ccc1)O)=O)c2ccccn2
OpenEye OEToolkits 2.0.6c1ccnc(c1)NC(=O)Cc2cccc(c2)O
Name:2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide
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).