BioLiP

PDB

BioLiP

PDB CCD ID:

1FK

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3
CACTVS 3.370	CC(=O)c1cc(c2cc(N)ccn12)c3ncccn3
ACDLabs 12.01	O=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, Lydia 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).