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BioLiP

PDB CCD ID: 5HO
Number of entries in BioLiP: 1
Chemical formula: C11 H12 Cl N3 O2
InChI: InChI=1S/C11H12ClN3O2/c12-8-3-4-9(13-7-8)14-10(16)11(17)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14,16)
InChIKey: LBTQVDWFWLGFOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(NC(=O)C(=O)N2CCCC2)nc1
OpenEye OEToolkits 1.9.2c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2
ACDLabs 12.01c1(ccc(nc1)NC(C(N2CCCC2)=O)=O)Cl
Name:N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
ZINC: ZINC000009302927
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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