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BioLiP

PDB CCD ID: 46L
Number of entries in BioLiP: 4
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c1-10(2)7-4-3-6(5-9-7)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKey: XWMLEYINWKGSAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CN(C)c1ccc(cn1)C(=O)O
ACDLabs 12.01O=C(O)c1cnc(N(C)C)cc1
CACTVS 3.385CN(C)c1ccc(cn1)C(O)=O
Name:6-(dimethylamino)pyridine-3-carboxylic acid
ChEMBL: CHEMBL394288
ZINC: ZINC000001734973
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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