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BioLiP

PDB CCD ID: L0D
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N4
InChI: InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
InChIKey: IYTGPPNUOLLGBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c1c(cccc1)nc2c3nncc3
CACTVS 3.341[nH]1ccc(n1)c2[nH]c3ccccc3n2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3
Name:2-(1H-pyrazol-3-yl)-1H-benzimidazole
ChEMBL: CHEMBL495758
DrugBank: DB08065
ZINC: ZINC000005687459
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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