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BioLiP

PDB CCD ID: T4E
Number of entries in BioLiP: 4
Chemical formula: C15 H11 Cl N4 O
InChI: InChI=1S/C15H11ClN4O/c16-11-8-10(6-7-12(11)21)14-13(18-15(17)20-19-14)9-4-2-1-3-5-9/h1-8,21H,(H2,17,18,20)
InChIKey: ZHUZHTHIEMXLRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O
CACTVS 3.370Nc1nnc(c2ccc(O)c(Cl)c2)c(n1)c3ccccc3
ACDLabs 12.01Clc3cc(c1nnc(nc1c2ccccc2)N)ccc3O
Name:4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
ChEMBL: CHEMBL2024114
ZINC: ZINC000084602037
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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