SEQ2FUN

BioLiP

PDB CCD ID: 0ON
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N2 O
InChI: InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKey: NYQXIOZBHWFCBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)NC(=O)c2cccnc2
ACDLabs 12.01
CACTVS 3.370		O=C(Nc1ccccc1)c2cccnc2
Name:N-phenylpyridine-3-carboxamide;
N-phenylnicotinamide
ChEMBL: CHEMBL454533
ZINC: ZINC000003894806
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).