SEQ2FUN

BioLiP

PDB CCD ID: H0P
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N2 O2
InChI: InChI=1S/C13H12N2O2/c16-12-5-1-3-10(7-12)8-13(17)15-11-4-2-6-14-9-11/h1-7,9,16H,8H2,(H,15,17)
InChIKey: SVYJPXVRJILISE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc(CC(=O)Nc2cccnc2)c1
ACDLabs 12.01N(C(Cc1cc(ccc1)O)=O)c2cccnc2
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)CC(=O)Nc2cccnc2
Name:2-(3-hydroxyphenyl)-N-(pyridin-3-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).