SEQ2FUN

BioLiP

PDB CCD ID: A1BYA
Number of entries in BioLiP: 2
Chemical formula: C11 H10 F N3 O2
InChI: InChI=1S/C11H10FN3O2/c1-6-5-9(15-17-6)11(16)14-8-4-2-3-7(12)10(8)13/h2-5H,13H2,1H3,(H,14,16)
InChIKey: VRNPHRZXBJLCAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1cc(no1)C(=O)Nc2cccc(c2N)F
CACTVS 3.385Cc1onc(c1)C(=O)Nc2cccc(F)c2N
ACDLabs 14.52Cc1cc(no1)C(=O)Nc1cccc(F)c1N
Name:N-(2-amino-3-fluorophenyl)-5-methyl-1,2-oxazole-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).