SEQ2FUN

BioLiP

PDB CCD ID: MR6
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N O
InChI: InChI=1S/C15H13NO/c1-10-7-11(2)9-12(8-10)15-16-13-5-3-4-6-14(13)17-15/h3-9H,1-2H3
InChIKey: BIHLSRJPJFOESJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c3ccccc3oc1c2cc(cc(c2)C)C
CACTVS 3.341Cc1cc(C)cc(c1)c2oc3ccccc3n2
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1)c2nc3ccccc3o2)C
Name:2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE
ChEMBL: CHEMBL255069
DrugBank: DB08207
ZINC: ZINC000016052440
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).