SEQ2FUN

BioLiP

PDB CCD ID: IRX
Number of entries in BioLiP: 1
Chemical formula: C19 H23 N3 O3
InChI: InChI=1S/C19H23N3O3/c1-14-17(21-19(25-14)15-8-4-2-5-9-15)18(24)20-11-13-22-12-7-3-6-10-16(22)23/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,20,24)
InChIKey: QHOJMCXWPJSDFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1oc(nc1C(=O)NCCN2CCCCCC2=O)c3ccccc3
OpenEye OEToolkits 2.0.7Cc1c(nc(o1)c2ccccc2)C(=O)NCCN3CCCCCC3=O
Name:5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
ZINC: ZINC000032309326
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).