SEQ2FUN

BioLiP

PDB CCD ID: 9EI
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N3 O
InChI: InChI=1S/C16H13N3O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,17H2,(H,19,20)
InChIKey: GCOPBALHEUXTEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cccc2ccccc21)c1cncc(N)c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N
CACTVS 3.385Nc1cncc(c1)C(=O)Nc2cccc3ccccc23
Name:5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide
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).