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BioLiP

PDB CCD ID: XT5
Number of entries in BioLiP: 7
Chemical formula: C19 H19 N3 O2
InChI: InChI=1S/C19H19N3O2/c1-13-4-2-3-5-18(13)24-19-9-6-14(10-17(19)23)11-22-12-16(20-21-22)15-7-8-15/h2-6,9-10,12,15,23H,7-8,11H2,1H3
InChIKey: VWPWFFSOJLWTDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccccc1Oc2ccc(Cn3cc(nn3)C4CC4)cc2O
OpenEye OEToolkits 2.0.6Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4
Name:5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
ZINC: ZINC000584905757
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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