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BioLiP

PDB CCD ID: JFS
Number of entries in BioLiP: 14
Chemical formula: C14 H12 N2 O
InChI: InChI=1S/C14H12N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-8,10,17H,9H2
InChIKey: IRZKUEWQJPIBJF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccc(CO)cc1)n3c2ccccc2nc3
CACTVS 3.385OCc1ccc(cc1)n2cnc3ccccc23
OpenEye OEToolkits 2.0.6c1ccc2c(c1)ncn2c3ccc(cc3)CO
Name:[4-(1H-benzimidazol-1-yl)phenyl]methanol
ZINC: ZINC000000168836
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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