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BioLiP

PDB CCD ID: Q1R
Number of entries in BioLiP: 1
Chemical formula: C21 H17 Cl N2 O2
InChI: InChI=1S/C21H17ClN2O2/c22-18-12-16(20(25)23-14-15-7-3-1-4-8-15)11-17(13-18)21(26)24-19-9-5-2-6-10-19/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKey: YLFDFYBJVIURMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)CNC(=O)c2cc(cc(c2)Cl)C(=O)Nc3ccccc3
CACTVS 3.385Clc1cc(cc(c1)C(=O)Nc2ccccc2)C(=O)NCc3ccccc3
Name:5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
ChEMBL: CHEMBL5273188
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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