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BioLiP Library

PDB CCD ID: CAS
Number of entries in BioLiP: 0
Chemical formula: C5 H12 As N O2 S
InChI: InChI=1S/C5H12AsNO2S/c1-6(2)10-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKey: UKLXSOVDMSQHMM-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[As](C)SC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0C[As](C)SC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CS[As](C)C
CACTVS 3.341C[As](C)SC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[As](C)SCC(C(=O)O)N
Name:S-(DIMETHYLARSENIC)CYSTEINE
DrugBank: DB03963
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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