BioLiP

PDB

BioLiP

PDB CCD ID:

A1EF0

Number of entries in BioLiP:

Chemical formula:

C18 H17 N O3

InChI:

InChI=1S/C18H17NO3/c1-12(20)18-11-16(17-6-4-5-7-19(17)18)13-8-14(21-2)10-15(9-13)22-3/h4-11H,1-3H3

InChIKey:

FTNILURDQGAJNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(OC)cc(c1)c2cc(n3ccccc23)C(C)=O
OpenEye OEToolkits 2.0.7	CC(=O)c1cc(c2n1cccc2)c3cc(cc(c3)OC)OC

Name:

1-[1-(3,5-dimethoxyphenyl)indolizin-3-yl]ethanone

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).