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BioLiP

PDB CCD ID: YC8
Number of entries in BioLiP: 4
Chemical formula: C16 H16 N2 O3
InChI: InChI=1S/C16H16N2O3/c19-15(8-4-7-12-5-2-1-3-6-12)18-14-11-17-10-9-13(14)16(20)21/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)(H,20,21)
InChIKey: FLWYUGQMDDTDDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O
CACTVS 3.385OC(=O)c1ccncc1NC(=O)CCCc2ccccc2
Name:3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid
ChEMBL: CHEMBL3774845
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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