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BioLiP

PDB CCD ID: I3L
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N O2 S
InChI: InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
InChIKey: ZFAHNWWNDFHPOH-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C=CCSC[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CSCC=C)C(O)=O
OpenEye OEToolkits 2.0.7C=CCSCC(C(=O)O)N
CACTVS 3.385N[C@@H](CSCC=C)C(O)=O
Name:allyl-cysteine
ChEMBL: CHEMBL2048654
ZINC: ZINC000002517162
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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