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BioLiP

PDB CCD ID: VTO
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 O2
InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3,(H2,9,10)
InChIKey: XVBZFXZNJAFCHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1cc(ccn1)C(=O)OCC
OpenEye OEToolkits 2.0.7CCOC(=O)c1ccnc(c1)N
CACTVS 3.385CCOC(=O)c1ccnc(N)c1
Name:ethyl 2-aminopyridine-4-carboxylate
ZINC: ZINC000019735565
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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