SEQ2FUN

BioLiP

PDB CCD ID: NMJ
Number of entries in BioLiP: 23
Chemical formula: C5 H3 Cl N2 O2
InChI: InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)
InChIKey: KGGYMBKTQCLOTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(C(O)=O)nc(cn1)Cl
OpenEye OEToolkits 2.0.7c1c(nc(cn1)Cl)C(=O)O
CACTVS 3.385OC(=O)c1cncc(Cl)n1
Name:6-chloropyrazine-2-carboxylic acid
ChEMBL: CHEMBL5198842
ZINC: ZINC000002570716
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).