BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFZ

Number of entries in BioLiP:

Chemical formula:

C23 H23 N3 O3

InChI:

InChI=1S/C23H23N3O3/c1-4-21(27)20-13-17(19-7-5-6-9-26(19)20)16-11-22(28-2)18(23(12-16)29-3)14-25-10-8-24-15-25/h5-13,15H,4,14H2,1-3H3

InChIKey:

HNTMUAFBKMLFSP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC(=O)c1cc(c2cc(OC)c(Cn3ccnc3)c(OC)c2)c4ccccn14
OpenEye OEToolkits 2.0.7	CCC(=O)c1cc(c2n1cccc2)c3cc(c(c(c3)OC)Cn4ccnc4)OC

Name:

1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]propan-1-one

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).