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BioLiP

PDB CCD ID: 09T
Number of entries in BioLiP: 16
Chemical formula: C16 H14 Cl2 N2
InChI: InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3
InChIKey: PCJBTWVYIQBUCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl
CACTVS 3.370Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C
ACDLabs 12.01Clc1ccc(cc1Cl)Cn2c3cc(c(cc3nc2)C)C
Name:1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
ChEMBL: CHEMBL1945507
ZINC: ZINC000004747684
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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