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BioLiP

PDB CCD ID: S2P
Number of entries in BioLiP: 3
Chemical formula: C5 H7 N3 O3 S
InChI: InChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m0/s1
InChIKey: SEVVPWOEIHLQGH-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1nsnc1O)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1nsnc1O
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](Cc1nsnc1O)C(O)=O
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)C(C(=O)O)N
Name:(2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
ChEMBL: CHEMBL429594
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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