BioLiP

PDB

BioLiP

PDB CCD ID:

2UZ

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O4 S

InChI:

InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1

InChIKey:

ILCKCFSUIJSDAX-CRCLSJGQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1C=C(NC(S1)C(C(=O)O)N)C(=O)O
CACTVS 3.370	N[C@@H]([C@@H]1NC(=CCS1)C(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(N)C1SCC=C(C(=O)O)N1
CACTVS 3.370	N[CH]([CH]1NC(=CCS1)C(O)=O)C(O)=O

Name:

(2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
(6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrolyzed form

ZINC:

ZINC000103524497

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).