BioLiP

PDB

BioLiP

PDB CCD ID:

82Y

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 O5 S

InChI:

InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)

InChIKey:

SEKOPSVILCFYRX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO
CACTVS 3.385	ONC(=O)c1ccc(cc1)c2csc3C(=O)C=C(Oc23)N4CCOCC4
ACDLabs 12.01	c1cc(ccc1C(NO)=O)c2c3c(sc2)C(C=C(O3)N4CCOCC4)=O

Name:

N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide

ZINC:

ZINC000584905435

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).