SEQ2FUN

BioLiP

PDB CCD ID: 6J3
Number of entries in BioLiP: 4
Chemical formula: C13 H11 Cl N2 O2
InChI: InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKey: CLOMYZFHNHFSIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O
CACTVS 3.385Cc1c(Cl)cccc1Nc2ncccc2C(O)=O
Name:2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
ChEMBL: CHEMBL1332971
DrugBank: DB09218
ZINC: ZINC000000001195
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).