BioLiP

PDB

BioLiP

PDB CCD ID:

915

Number of entries in BioLiP:

Chemical formula:

C14 H19 F N2 O5 S

InChI:

InChI=1S/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1

InChIKey:

LUCFRFDOOYLALP-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc(ccc1F)S(=O)(=O)NC(C2CCOCC2)C(=O)NO
CACTVS 3.341	Cc1cc(ccc1F)[S](=O)(=O)N[CH](C2CCOCC2)C(=O)NO
ACDLabs 10.04	Fc1ccc(cc1C)S(=O)(=O)NC(C(=O)NO)C2CCOCC2
OpenEye OEToolkits 1.5.0	Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO
CACTVS 3.341	Cc1cc(ccc1F)[S](=O)(=O)N[C@H](C2CCOCC2)C(=O)NO

Name:

(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE

ChEMBL:

CHEMBL204593

DrugBank:

DB07290

ZINC:

ZINC000003818457

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).