SEQ2FUN

BioLiP

PDB CCD ID: 7MU
Number of entries in BioLiP: 6
Chemical formula: C7 H7 Cl N2 O
InChI: InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
InChIKey: BGVBBMZMEKXUTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cc(Cl)ccn1
OpenEye OEToolkits 2.0.6CNC(=O)c1cc(ccn1)Cl
Name:4-chloranyl-~{N}-methyl-pyridine-2-carboxamide
ChEMBL: CHEMBL4163507
ZINC: ZINC000001389101
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).