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BioLiP

PDB CCD ID: XIY
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChIKey: IAJLTMBBAVVMQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OCc1[nH]c2ccccc2n1
ACDLabs 10.04OCc2nc1ccccc1n2
OpenEye OEToolkits 1.6.1c1ccc2c(c1)[nH]c(n2)CO
Name:2-HYDROXYMETHYL-BENZOIMIDAZOLE;
1H-BENZIMIDAZOL-2-YLMETHANOL
ChEMBL: CHEMBL71443
ZINC: ZINC000000158650
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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