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BioLiP Library

PDB CCD ID: B0N
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3 O
InChI: InChI=1S/C15H15N3O/c1-18-15-9-12(5-6-14(15)16-17-18)7-11-3-2-4-13(8-11)10-19/h2-6,8-9,19H,7,10H2,1H3
InChIKey: CSSCVBUYJAGWCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nnc2ccc(Cc3cccc(CO)c3)cc12
OpenEye OEToolkits 2.0.6Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO
Name:[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
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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