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BioLiP

PDB CCD ID: QI1
Number of entries in BioLiP: 1
Chemical formula: C18 H20 Cl2 N2 O2
InChI: InChI=1S/C18H20Cl2N2O2/c19-16-7-3-14(4-8-16)12-22(11-1-2-18(23)21-24)13-15-5-9-17(20)10-6-15/h3-10,24H,1-2,11-13H2,(H,21,23)
InChIKey: DFRQCUSEVBJDPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370ONC(=O)CCCN(Cc1ccc(Cl)cc1)Cc2ccc(Cl)cc2
ACDLabs 12.01Clc1ccc(cc1)CN(Cc2ccc(Cl)cc2)CCCC(=O)NO
OpenEye OEToolkits 1.7.0c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl
Name:4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide
ZINC: ZINC000066166408
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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