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BioLiP Library

PDB CCD ID: P98
Number of entries in BioLiP: 2
Chemical formula: C26 H23 N3 O
InChI: InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3
InChIKey: DUSPRZSUFQRSKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4
CACTVS 3.385CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1c5ccccc5
ACDLabs 12.01n4c3ccc(OCc1nc2c(cc1)cccc2)cc3n(c4C(C)C)c5ccccc5
Name:2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
ChEMBL: CHEMBL3091492
ZINC: ZINC000095921005
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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