BioLiP

PDB

BioLiP

PDB CCD ID:

VVN

Number of entries in BioLiP:

Chemical formula:

C21 H21 N3 O3

InChI:

InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3

InChIKey:

ONGVXJRZAFCJEX-UHFFFAOYSA-N

SMILES:

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

Name:

N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide

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).