SEQ2FUN

BioLiP

PDB CCD ID: 8SA
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2 O S
InChI: InChI=1S/C9H10N2OS/c1-7-5-9(11-12-7)10-6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,11)
InChIKey: SXTOSOZKUQLFBT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(no1)NCc2cccs2
CACTVS 3.385Cc1onc(NCc2sccc2)c1
ACDLabs 12.01N(c1noc(C)c1)Cc2cccs2
Name:5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine
ZINC: ZINC000062716557
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).