BioLiP

PDB

BioLiP

PDB CCD ID:

A1BJW

Number of entries in BioLiP:

Chemical formula:

C15 H14 F N5 O2

InChI:

InChI=1S/C15H14FN5O2/c16-9-1-2-10-11(7-9)20-14-12(10)13(18-8-19-14)17-3-4-21-5-6-23-15(21)22/h1-2,7-8H,3-6H2,(H2,17,18,19,20)

InChIKey:

SBYDWOLNFDGUSQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1F)[nH]c3c2c(ncn3)NCCN4CCOC4=O
ACDLabs 14.52	Fc1ccc2c3c(NCCN4CCOC4=O)ncnc3[NH]c2c1
CACTVS 3.385	Fc1ccc2c([nH]c3ncnc(NCCN4CCOC4=O)c23)c1

Name:

3-{2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]ethyl}-1,3-oxazolidin-2-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).