SEQ2FUN

BioLiP

PDB CCD ID: NUM
Number of entries in BioLiP: 7
Chemical formula: C14 H14 N2 O2
InChI: InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)
InChIKey: YXENGKAXLJYJOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(C(c1ccccn1)=O)CCc2ccc(cc2)O
CACTVS 3.385Oc1ccc(CCNC(=O)c2ccccn2)cc1
OpenEye OEToolkits 2.0.6c1ccnc(c1)C(=O)NCCc2ccc(cc2)O
Name:N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
ZINC: ZINC000001016488
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).