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BioLiP

PDB CCD ID: X01
Number of entries in BioLiP: 1
Chemical formula: C10 H7 N5 O
InChI: InChI=1S/C10H7N5O/c11-4-6-1-2-8(16)7(3-6)9-13-5-14-10(12)15-9/h1-3,5,16H,(H2,12,13,14,15)
InChIKey: ATWKNNOBDMPYCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1ncnc(n1)c2cc(ccc2O)C#N
ACDLabs 12.01N#Cc1cc(c(O)cc1)c2ncnc(n2)N
OpenEye OEToolkits 1.7.0c1cc(c(cc1C#N)c2ncnc(n2)N)O
Name:3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
ZINC: ZINC000095921353
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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