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BioLiP

PDB CCD ID: L83
Number of entries in BioLiP: 1
Chemical formula: C14 H14 Cl N3 O
InChI: InChI=1S/C14H14ClN3O/c1-9-5-6-17-14(16)13(9)18-12(19)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)
InChIKey: HMBNRINOSXPSCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccnc(N)c1NC(=O)Cc2cccc(Cl)c2
ACDLabs 12.01Nc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
OpenEye OEToolkits 2.0.7Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)N
Name:N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)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)(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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