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BioLiP

PDB CCD ID: A1ASZ
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N3 O2 S
InChI: InChI=1S/C6H9N3O2S/c7-3(6(10)11)1-4-5(12)9-2-8-4/h2-3,12H,1,7H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKey: WBSBVAGWUGLYEZ-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1[nH]c(c(n1)C[C@@H](C(=O)O)N)S
CACTVS 3.385N[CH](Cc1nc[nH]c1S)C(O)=O
CACTVS 3.385N[C@H](Cc1nc[nH]c1S)C(O)=O
ACDLabs 12.01Sc1[NH]cnc1CC(N)C(=O)O
OpenEye OEToolkits 2.0.7c1[nH]c(c(n1)CC(C(=O)O)N)S
Name:5-sulfanyl-L-histidine
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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