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BioLiP

PDB CCD ID: 0UL
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N5
InChI: InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)
InChIKey: NKIXJKQWFAULJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1nn2cc(ncc2n1)c3ccccc3
ACDLabs 12.01n1c(cn2nc(nc2c1)N)c3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cn3c(cn2)nc(n3)N
Name:6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine
ZINC: ZINC000095921352
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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