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BioLiP

PDB CCD ID: SWW
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O3 S
InChI: InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m1/s1
InChIKey: MWFRVMDVLYIXJF-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CSCCO)C(O)=O
OpenEye OEToolkits 2.0.7C(CSCC(C(=O)O)N)O
CACTVS 3.385N[C@H](CSCCO)C(O)=O
OpenEye OEToolkits 2.0.7C(CSC[C@H](C(=O)O)N)O
Name:(2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid;
S-(2-hydroxyethyl)-D-cysteine
ZINC: ZINC000006753336
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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