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BioLiP

PDB CCD ID: 5Q8
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N3 O
InChI: InChI=1S/C11H9N3O/c12-7-9-11(13)15-10(14-9)6-8-4-2-1-3-5-8/h1-5H,6,13H2
InChIKey: DCUCOAMWPAFMQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1oc(Cc2ccccc2)nc1C#N
OpenEye OEToolkits 2.0.4c1ccc(cc1)Cc2nc(c(o2)N)C#N
Name:5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile
ChEMBL: CHEMBL1992036
ZINC: ZINC000001650097
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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