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BioLiP

PDB CCD ID: SMF
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O5 S
InChI: InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1
InChIKey: ICCZHONAEMZRSG-VIFPVBQESA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)CS(=O)(=O)O
CACTVS 3.341N[CH](Cc1ccc(C[S](O)(=O)=O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(C[S](O)(=O)=O)cc1)C(O)=O
Name:4-SULFOMETHYL-L-PHENYLALANINE
ZINC: ZINC000013650786
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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