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BioLiP

PDB CCD ID: 5Q7
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N3 O
InChI: InChI=1S/C8H11N3O/c1-5(2)3-7-11-6(4-9)8(10)12-7/h5H,3,10H2,1-2H3
InChIKey: SLPCJMOIVJSWSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)Cc1oc(N)c(n1)C#N
OpenEye OEToolkits 2.0.4CC(C)Cc1nc(c(o1)N)C#N
Name:5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
ChEMBL: CHEMBL4564180
ZINC: ZINC000077261606
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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