SEQ2FUN

BioLiP

PDB CCD ID: A1C9T
Number of entries in BioLiP: 1
Chemical formula: C9 H9 Cl N2 O
InChI: InChI=1S/C9H9ClN2O/c10-6-1-4-8(11-5-6)9(13)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)
InChIKey: WXIRTURNONXVMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(nc1)C(=O)NC2CC2
ACDLabs 14.52Clc1cnc(cc1)C(=O)NC1CC1
OpenEye OEToolkits 3.1.0.0c1cc(ncc1Cl)C(=O)NC2CC2
Name:5-chloro-N-cyclopropylpyridine-2-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).