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BioLiP

PDB CCD ID: X0A
Number of entries in BioLiP: 1
Chemical formula: C15 H12 Cl N5 O
InChI: InChI=1S/C15H12ClN5O/c16-9-6-7-12(22)11(8-9)13-19-14(17)21-15(20-13)18-10-4-2-1-3-5-10/h1-8,22H,(H3,17,18,19,20,21)
InChIKey: GLZDHSRHLCFCED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl
ACDLabs 12.01Clc3cc(c1nc(nc(n1)Nc2ccccc2)N)c(O)cc3
CACTVS 3.370Nc1nc(Nc2ccccc2)nc(n1)c3cc(Cl)ccc3O
Name:2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
ZINC: ZINC000000405424
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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