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BioLiP

PDB CCD ID: SIC
Number of entries in BioLiP: 0
Chemical formula: C7 H10 N2 O4 S
InChI: InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1
InChIKey: SZTCYLPUUUGCPP-IMJSIDKUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N
OpenEye OEToolkits 1.5.0C1C(C(=O)N(C1=O)C(CS)C(=O)O)N
ACDLabs 10.04O=C1N(C(=O)CC1N)C(C(=O)O)CS
CACTVS 3.341N[CH]1CC(=O)N([CH](CS)C(O)=O)C1=O
CACTVS 3.341N[C@H]1CC(=O)N([C@@H](CS)C(O)=O)C1=O
Name:(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid
ZINC: ZINC000058649622

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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