SEQ2FUN

BioLiP

PDB CCD ID: H54
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O
InChI: InChI=1S/C14H14N2O/c1-11-4-2-5-12(8-11)9-14(17)16-13-6-3-7-15-10-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKey: AHPALPGTXJXWGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cccc(c1)CC(=O)Nc2cccnc2
CACTVS 3.385Cc1cccc(CC(=O)Nc2cccnc2)c1
ACDLabs 12.01N(C(Cc1cccc(C)c1)=O)c2cccnc2
Name:2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide
ChEMBL: CHEMBL1869629
ZINC: ZINC000006714735
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).