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BioLiP

PDB CCD ID: GX0
Number of entries in BioLiP: 4
Chemical formula: C19 H20 Cl N3
InChI: InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
InChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4
CACTVS 3.385Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1
Name:1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;
Clemizole
ChEMBL: CHEMBL1407943
DrugBank: DB15932
ZINC: ZINC000000057260
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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