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BioLiP

PDB CCD ID: FV4
Number of entries in BioLiP: 1
Chemical formula: C20 H22 Cl F N4
InChI: InChI=1S/C20H22ClFN4/c1-13-9-15(10-14(2)19(13)22)12-26-18-11-16(21)3-4-17(18)24-20(26)25-7-5-23-6-8-25/h3-4,9-11,23H,5-8,12H2,1-2H3
InChIKey: HQRYJQRNCCMWFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl
ACDLabs 12.01n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4CCNCC4)Cl
CACTVS 3.385Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc(C)c1F
Name:6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
ChEMBL: CHEMBL4218552
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)(download the PDF file).
  • 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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