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BioLiP

PDB CCD ID: 30V
Number of entries in BioLiP: 0
Chemical formula: C10 H12 N2 O3 S Se
InChI: InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1
InChIKey: PCXNBMCCBAIGGP-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CS[Se]c1ccccc1C(N)=O)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)N)[Se]SCC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CS[Se]c1ccccc1C(=O)N
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CS[Se]c1ccccc1C(N)=O)C(O)=O
Name:S-[(2-carbamoylphenyl)selanyl]-L-cysteine
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).
  • 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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