SEQ2FUN

BioLiP

PDB CCD ID: 8WX
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N3 O
InChI: InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3
InChIKey: PYKJFEPAUKAXNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N
CACTVS 3.385Cc1nc2n(cccc2OCc3ccccc3)c1CC#N
Name:2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile
ChEMBL: CHEMBL47529
ZINC: ZINC000000002675
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).