SEQ2FUN

BioLiP

PDB CCD ID: AO4
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Cl N O2
InChI: InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey: QXCOHSRHFCHCHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccnc(Cl)c1
OpenEye OEToolkits 2.0.6c1cnc(cc1C(=O)O)Cl
ACDLabs 12.01C(c1ccnc(c1)Cl)(O)=O
Name:2-chloropyridine-4-carboxylic acid
ChEMBL: CHEMBL1886959
ZINC: ZINC000000166657
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).