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BioLiP

PDB CCD ID: 6EO
Number of entries in BioLiP: 1
Chemical formula: C14 H11 Cl N2 O3
InChI: InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)
InChIKey: BGMIWCIVXVXHDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccncc1NC(=O)Cc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.4c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl
ACDLabs 12.01c1c(ccc(c1)Cl)CC(Nc2cnccc2C(=O)O)=O
Name:3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid
ChEMBL: CHEMBL5278205
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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