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BioLiP

PDB CCD ID: Q78
Number of entries in BioLiP: 0
Chemical formula: C7 H9 N O2 S
InChI: InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
InChIKey: VOIZSAUUYAGTMS-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](Cc1cscc1)C(O)=O
OpenEye OEToolkits 2.0.7c1cscc1CC(C(=O)O)N
OpenEye OEToolkits 2.0.7c1cscc1C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](Cc1cscc1)C(O)=O
Name:L-3-Thienylalanine;
(2S)-2-azanyl-3-thiophen-3-yl-propanoic acid;
3-(3-Thienyl)-l-alanine
ZINC: ZINC000000334439
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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