BioLiP

PDB

BioLiP

PDB CCD ID:

VOI

Number of entries in BioLiP:

Chemical formula:

C20 H19 N3 O3

InChI:

InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3

InChIKey:

UENZVQQFHDXFGK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)C(=O)CCOc1ccccc1Oc2cccn3c2cc(c3)C#N
ACDLabs 12.01	CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
CACTVS 3.385	CN(C)C(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N

Name:

3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide

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).