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BioLiP

PDB CCD ID: 1P0
Number of entries in BioLiP: 0
Chemical formula: C15 H24 N10 O3
InChI: InChI=1S/C15H24N10O3/c26-4-1-23-10-13(16-19-23)7-22(8-14-11-24(2-5-27)20-17-14)9-15-12-25(3-6-28)21-18-15/h10-12,26-28H,1-9H2
InChIKey: UBECCOXTPTYDBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO
ACDLabs 12.01OCCn1nnc(c1)CN(Cc2nnn(c2)CCO)Cc3nnn(c3)CCO
CACTVS 3.370OCCn1cc(CN(Cc2cn(CCO)nn2)Cc3cn(CCO)nn3)nn1
Name:2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol
ZINC: ZINC000146589695
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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