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BioLiP

PDB CCD ID: WQ4
Number of entries in BioLiP: 1
Chemical formula: C5 H5 N3 O
InChI: InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
InChIKey: OVIXKBXQNCJGDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc(c(o1)N)C#N
ACDLabs 12.01N#Cc1c(oc(n1)C)N
CACTVS 3.385Cc1oc(N)c(n1)C#N
Name:5-amino-2-methyl-1,3-oxazole-4-carbonitrile
ZINC: ZINC000000335545
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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