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BioLiP

PDB CCD ID: QAQ
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N8 O
InChI: InChI=1S/C18H14N8O/c19-8-9-20-16-21-11-22-17(25-16)26-15-7-2-1-6-14(15)24-18(26)23-12-4-3-5-13(27)10-12/h1-7,10-11,27H,9H2,(H,23,24)(H,20,21,22,25)
InChIKey: FEBJYEFFVIDUNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1cccc(Nc2nc3ccccc3n2c4ncnc(NCC#N)n4)c1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O
ACDLabs 12.01N#CCNc1ncnc(n1)n3c4ccccc4nc3Nc2cccc(O)c2
Name:[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile;
2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)acetonitrile
ChEMBL: CHEMBL1615182
ZINC: ZINC000064744186
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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