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BioLiP

PDB CCD ID: CQV
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey: DGMPVYSXXIOGJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCc1ccc(nc1)C(O)=O
OpenEye OEToolkits 2.0.6CCCCc1ccc(nc1)C(=O)O
ACDLabs 12.01C(c1ncc(CCCC)cc1)(O)=O
Name:5-butylpyridine-2-carboxylic acid
ChEMBL: CHEMBL24510
ZINC: ZINC000001531682
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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