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BioLiP Library

PDB CCD ID: CZ2
Number of entries in BioLiP: 0
Chemical formula: C3 H8 As N O4 S
InChI: InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKey: FZFDBYKEUGDOOP-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](CS[As](O)O)C(O)=O
CACTVS 3.341N[C@@H](CS[As](O)O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S[As](O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S[As](O)O
ACDLabs 10.04O=C(O)C(N)CS[As](O)O
Name:S-(DIHYDROXYARSINO)CYSTEINE;
THIARSA DIHYDROXY CYSTEINE
DrugBank: DB03289
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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