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BioLiP

PDB CCD ID: X06
Number of entries in BioLiP: 1
Chemical formula: C9 H8 Cl N5 O
InChI: InChI=1S/C9H8ClN5O/c10-4-1-2-6(16)5(3-4)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15)
InChIKey: NOWKBXMQKRTOCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O
ACDLabs 12.01Clc1cc(c(O)cc1)c2nc(nc(n2)N)N
CACTVS 3.370Nc1nc(N)nc(n1)c2cc(Cl)ccc2O
Name:4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
ZINC: ZINC000000389253
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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