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BioLiP

PDB CCD ID: VGF
Number of entries in BioLiP: 4
Chemical formula: C20 H15 Cl2 N3
InChI: InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
InChIKey: JFVMZMBFRZPOFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1nc2cccc(c3ccccc3)c2n1Cc4ccc(Cl)c(Cl)c4
OpenEye OEToolkits 1.6.1c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl
ACDLabs 10.04Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4
Name:1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE
ChEMBL: CHEMBL484995
ZINC: ZINC000040943275
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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