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BioLiP

PDB CCD ID: 2UZ
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C=C(NC(S1)C(C(=O)O)N)C(=O)O
CACTVS 3.370N[C@@H]([C@@H]1NC(=CCS1)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(N)C1SCC=C(C(=O)O)N1
CACTVS 3.370N[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, Peter L 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).

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