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BioLiP

PDB CCD ID: Q8N
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N7 S
InChI: InChI=1S/C15H17N7S/c1-10-4-3-5-11(8-10)18-14-20-12(19-13(16)21-14)9-23-15-17-6-7-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)
InChIKey: AJMVTEFCEYDLAV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccnc1SCc2nc(N)nc(Nc3cccc(C)c3)n2
OpenEye OEToolkits 3.1.0.0Cc1cccc(c1)Nc2nc(nc(n2)N)CSc3nccn3C
Name:6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
ChEMBL: CHEMBL1549837
ZINC: ZINC000018069104
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)(download the PDF file).
  • 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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