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BioLiP

PDB CCD ID: CQZ
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2 O3
InChI: InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)
InChIKey: FWYOTGNTHMHGFK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnc(cc1C(=O)O)NCCCO
CACTVS 3.385OCCCNc1cc(ccn1)C(O)=O
Name:2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid
ZINC: ZINC000042783956
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).
  • 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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