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BioLiP

PDB CCD ID: YJD
Number of entries in BioLiP: 2
Chemical formula: C16 H16 N2 O2
InChI: InChI=1S/C16H16N2O2/c1-11(2)20-16-17-14-5-3-4-6-15(14)18(16)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3
InChIKey: IRWOSCQWORJIQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1ccccc1n(c2OC(C)C)c3ccc(O)cc3
CACTVS 3.385CC(C)Oc1nc2ccccc2n1c3ccc(O)cc3
OpenEye OEToolkits 1.9.2CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O
Name:4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL
ZINC: ZINC000082165218
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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