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BioLiP

PDB CCD ID: DYR
Number of entries in BioLiP: 1
Chemical formula: C21 H14 Cl N3 O
InChI: InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)
InChIKey: ZDAKKNHUWVTCRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N
CACTVS 3.385Clc1cccc(C#N)c1NC(=O)Cn2c3ccccc3c4ccccc24
Name:2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide
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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