BioLiP

PDB

BioLiP

PDB CCD ID:

7B1

Number of entries in BioLiP:

Chemical formula:

C14 H11 N3 O4 S

InChI:

InChI=1S/C14H11N3O4S/c15-22(19,20)10-6-7-12-11(8-10)16-14(21-12)17-13(18)9-4-2-1-3-5-9/h1-8H,(H2,15,19,20)(H,16,17,18)

InChIKey:

UWRXFOQPZCPECA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1ccc(cc1)C(Nc3oc2ccc(cc2n3)S(N)(=O)=O)=O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc2oc(NC(=O)c3ccccc3)nc2c1

Name:

N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide

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).