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BioLiP

PDB CCD ID: CYQ
Number of entries in BioLiP: 0
Chemical formula: C4 H10 N O5 P S
InChI: InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
InChIKey: IIALWEPLPCANHU-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)SCP(=O)(O)O
ACDLabs 10.04O=P(O)(O)CSCC(N)C(=O)O
CACTVS 3.341N[CH](CSC[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)SCP(=O)(O)O
CACTVS 3.341N[C@@H](CSC[P](O)(O)=O)C(O)=O
Name:2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID;
S-METHYL PHOSPHOCYSTEINE
ChEMBL: CHEMBL175970
DrugBank: DB02461
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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