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BioLiP

PDB CCD ID: 1FK
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N4 O
InChI: InChI=1S/C14H12N4O/c1-9(19)12-8-11(14-16-4-2-5-17-14)13-7-10(15)3-6-18(12)13/h2-8H,15H2,1H3
InChIKey: PSDYTFPEBOCDIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3
CACTVS 3.370CC(=O)c1cc(c2cc(N)ccn12)c3ncccn3
ACDLabs 12.01O=C(c1cc(c2cc(ccn12)N)c3ncccn3)C
Name:1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone
ZINC: ZINC000095920944
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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