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BioLiP

PDB CCD ID: SEB
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O5 S
InChI: InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey: GCZVEKLTOLTWLM-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CS(=O)(=O)OCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)COS(=O)(=O)Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CO[S](=O)(=O)Cc1ccccc1)C(O)=O
CACTVS 3.341N[CH](CO[S](=O)(=O)Cc1ccccc1)C(O)=O
Name:O-BENZYLSULFONYL-SERINE
DrugBank: DB01973
ZINC: ZINC000012501417
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)(download the PDF file).
  • 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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