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BioLiP

PDB CCD ID: H1D
Number of entries in BioLiP: 1
Chemical formula: C8 H16 N2 O6 S
InChI: InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1
InChIKey: PWFBZASPUNGGAM-KVQBGUIXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCSC[CH](O)[CH](O)C(=O)NO)C(O)=O
CACTVS 3.341N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O
ACDLabs 10.04O=C(NO)C(O)C(O)CSCCC(N)C(=O)O
OpenEye OEToolkits 1.5.0C(CSCC(C(C(=O)NO)O)O)C(C(=O)O)N
Name:(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID
ChEMBL: CHEMBL207406
ZINC: ZINC000013687227
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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