BioLiP

PDB

BioLiP

PDB CCD ID:

BE9

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O4 S

InChI:

InChI=1S/C11H15N3O4S/c12-19(15,16)13-11(14-6-8-17-9-7-14)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,15,16)/b13-11-

InChIKey:

ODXJJHKPSWXDMI-QBFSEMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)OC(=NS(=O)(=O)N)N2CCOCC2
CACTVS 3.370	N[S](=O)(=O)N=C(Oc1ccccc1)N2CCOCC2
ACDLabs 12.01	O=S(=O)(/N=C(\Oc1ccccc1)N2CCOCC2)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)O/C(=N\S(=O)(=O)N)/N2CCOCC2

Name:

phenyl N-sulfamoylmorpholine-4-carboximidoate

ZINC:

ZINC000066167002

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).