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BioLiP

PDB CCD ID: PR3
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O S2
InChI: InChI=1S/C6H13NOS2/c1-2-3-9-10-5-6(7)4-8/h4,6H,2-3,5,7H2,1H3/t6-/m1/s1
InChIKey: JOUZYBMKOXDVCY-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCSSCC(C=O)N
CACTVS 3.341CCCSSC[C@H](N)C=O
ACDLabs 10.04O=CC(N)CSSCCC
CACTVS 3.341CCCSSC[CH](N)C=O
OpenEye OEToolkits 1.5.0CCCSSC[C@@H](C=O)N
Name:S,S-PROPYLTHIOCYSTEINE
DrugBank: DB03654
ZINC: ZINC000053684033
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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