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BioLiP Library

PDB CCD ID: CZZ
Number of entries in BioLiP: 0
Chemical formula: C3 H7 As N O3 S
InChI: InChI=1S/C3H8AsNO3S/c5-2(3(6)7)1-9-4-8/h2,4,8H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKey: SHJQITKLZDPXCU-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CS[As]O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(C(=O)O)N)S[As]O
OpenEye OEToolkits 2.0.7C([C@@H](C(=O)O)N)S[As]O
CACTVS 3.385N[C@@H](CS[As]O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS[AsH]O
Name:THIARSAHYDROXY-CYSTEINE
DrugBank: DB01808
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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