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BioLiP

PDB CCD ID: A9P
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey: BHAXDAUULXCVEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1onc(C)c1c2ccccc2
ACDLabs 12.01n2oc(c(c1ccccc1)c2C)C
OpenEye OEToolkits 1.9.2Cc1c(c(on1)C)c2ccccc2
Name:3,5 DIMETHYL-4-PHENYL-1,2-OXAZOLE
ChEMBL: CHEMBL1828979
ZINC: ZINC000033836256
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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