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BioLiP

PDB CCD ID: 3JI
Number of entries in BioLiP: 0
Chemical formula: C16 H17 N2 O4
InChI: InChI=1S/C16H17N2O4/c19-15(8-4-7-12-5-2-1-3-6-12)17-14-11-18(22)10-9-13(14)16(20)21/h1-3,5-6,9-11,22H,4,7-8H2,(H,17,19)(H,20,21)
InChIKey: OIKBSJUYAZAFGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O
CACTVS 3.385OC(=O)c1cc[n](O)cc1NC(=O)CCCc2ccccc2
Name:3-(4-PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID
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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