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BioLiP

PDB CCD ID: 62O
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N4 O
InChI: InChI=1S/C11H10N4O/c1-16-7-2-3-8-10(6-7)14-11(13-8)9-4-5-12-15-9/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKey: KSQSJEOPBMYGOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2nc([nH]c2c1)c3[nH]ncc3
ACDLabs 12.01c12c(ccc(OC)c1)nc(n2)c3ccnn3
OpenEye OEToolkits 2.0.4COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3
Name:6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole
ChEMBL: CHEMBL3815097
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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