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BioLiP

PDB CCD ID: P07
Number of entries in BioLiP: 1
Chemical formula: C20 H18 N6
InChI: InChI=1S/C20H18N6/c1-3-25-19-15-11-7-5-9-13(15)18-20(26(4-2)24-22-18)16-12-8-6-10-14(16)17(19)21-23-25/h5-12H,3-4H2,1-2H3/b17-14+,18-13+,19-15+,20-16+
InChIKey: YRZRZRBFIALCLI-MKVCYXFSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12
OpenEye OEToolkits 1.7.6CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5
ACDLabs 12.01n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34)cccc5)CC
Name:1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE
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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