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BioLiP Library

PDB CCD ID: AWN
Number of entries in BioLiP: 2
Chemical formula: C22 H20 Cl N3
InChI: InChI=1S/C22H20ClN3/c23-19-14-16(10-11-18(19)17-6-2-1-3-7-17)15-24-13-12-22-25-20-8-4-5-9-21(20)26-22/h1-11,14,24H,12-13,15H2,(H,25,26)
InChIKey: FRBAXZWVJBIJNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cc(CNCCc2[nH]c3ccccc3n2)ccc1c4ccccc4
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3
Name:2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
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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