BioLiP

PDB

BioLiP

PDB CCD ID:

KRY

Number of entries in BioLiP:

Chemical formula:

C15 H11 F2 N3 O3 S

InChI:

InChI=1S/C15H11F2N3O3S/c16-10-1-6-14(13(17)9-10)20-8-7-19(15(20)21)11-2-4-12(5-3-11)24(18,22)23/h1-9H,(H2,18,22,23)

InChIKey:

GEYINGHKGSVZTE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)N2C=CN(C2=O)c3ccc(F)cc3F
ACDLabs 12.01	Fc1cc(F)ccc1N2C(N(C=C2)c3ccc(S(=O)(=O)N)cc3)=O

Name:

4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide

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).