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BioLiP

PDB CCD ID: MKI
Number of entries in BioLiP: 1
Chemical formula: C15 H15 Cl N2 O
InChI: InChI=1S/C15H15ClN2O/c1-11-6-7-17-10-14(11)18(2)15(19)9-12-4-3-5-13(16)8-12/h3-8,10H,9H2,1-2H3
InChIKey: KTTFDHLIVPVQIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1
OpenEye OEToolkits 2.0.7Cc1ccncc1N(C)C(=O)Cc2cccc(c2)Cl
CACTVS 3.385CN(C(=O)Cc1cccc(Cl)c1)c2cnccc2C
Name:2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide
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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