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BioLiP

PDB CCD ID: A1IID
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O2 S
InChI: InChI=1S/C9H11NO2S/c10-8(9(11)12)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10H2,(H,11,12)/t8-/m0/s1
InChIKey: DKZIJCYVZNQMAU-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C[C@@H](C(=O)O)N)S
CACTVS 3.385N[CH](Cc1ccc(S)cc1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1CC(C(=O)O)N)S
CACTVS 3.385N[C@@H](Cc1ccc(S)cc1)C(O)=O
Name:4-mercaptophenyl-alanine;
(2~{S})-2-azanyl-3-(4-sulfanylphenyl)propanoic acid;
4-mercaptophenylalanine
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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