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BioLiP

PDB CCD ID: QNQ
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O4 S
InChI: InChI=1S/C10H13NO4S/c1-5-2-3-7(12)8(13)9(5)16-4-6(11)10(14)15/h2-3,6,12-13H,4,11H2,1H3,(H,14,15)/t6-/m0/s1
InChIKey: ZBDRXXWHBJGDMK-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(O)c(O)c1SC[CH](N)C(O)=O
CACTVS 3.385Cc1ccc(O)c(O)c1SC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1SCC(C(=O)O)N)O)O
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1SC[C@@H](C(=O)O)N)O)O
Name:4-methylcatechol 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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