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BioLiP

PDB CCD ID: LE1
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2 S
InChI: InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
InChIKey: VVNCNSJFMMFHPL-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)([C@@H](C(=O)O)N)S
ACDLabs 10.04O=C(O)C(N)C(S)(C)C
CACTVS 3.341CC(C)(S)[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C(C(=O)O)N)S
CACTVS 3.341CC(C)(S)[C@H](N)C(O)=O
Name:3-sulfanyl-L-valine;
L-LE1ICILLAMINE;
L-Penicillamine
ChEMBL: CHEMBL207222
ZINC: ZINC000000114124
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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