SEQ2FUN

BioLiP

PDB CCD ID: SJ6
Number of entries in BioLiP: 4
Chemical formula: C21 H17 N3 O2
InChI: InChI=1S/C21H17N3O2/c1-14-4-9-18-19(11-14)26-21(24-18)16-7-5-15(6-8-16)12-23-20(25)17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,25)
InChIKey: UNHAWZZVVULEHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2nc(oc2c1)c3ccc(CNC(=O)c4cccnc4)cc3
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)oc(n2)c3ccc(cc3)CNC(=O)c4cccnc4
Name:N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
ChEMBL: CHEMBL6070363
ZINC: ZINC000016348661
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).