BioLiP

PDB

BioLiP

PDB CCD ID:

DXF

Number of entries in BioLiP:

Chemical formula:

C16 H18 N4 O8 S

InChI:

InChI=1S/C16H18N4O8S/c1-26-20-12(10-3-2-4-27-10)13(22)18-9(5-21)14-19-11(15(23)24)8(7-29-14)6-28-16(17)25/h2-5,9,14,19H,6-7H2,1H3,(H2,17,25)(H,18,22)(H,23,24)/b20-12-/t9-,14-/m1/s1

InChIKey:

RUUDYXYLGTZCPN-VRVPSKPHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CO\N=C(/C(=O)N[C@H](C=O)[C@@H]1NC(=C(COC(N)=O)CS1)C(O)=O)c2occc2
ACDLabs 12.01	O=CC(NC(=O)C(=N\OC)/c1occc1)C2SCC(=C(N2)C(=O)O)COC(=O)N
OpenEye OEToolkits 1.7.6	CON=C(c1ccco1)C(=O)NC(C=O)C2NC(=C(CS2)COC(=O)N)C(=O)O
OpenEye OEToolkits 1.7.6	CO/N=C(/c1ccco1)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)O
CACTVS 3.370	CON=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(O)=O)c2occc2

Name:

(2R)-5-[(carbamoyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
Cefuroxime, bound form

ZINC:

ZINC000103539830

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).