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BioLiP

PDB CCD ID: VDD
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N O2 S
InChI: InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1
InChIKey: FAAIBCMHMKYUAH-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H](Sc1ccccn1)C(O)=O
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)O)Sc1ccccn1
CACTVS 3.385C[CH](Sc1ccccn1)C(O)=O
ACDLabs 12.01CC(Sc1ccccn1)C(=O)O
OpenEye OEToolkits 2.0.7CC(C(=O)O)Sc1ccccn1
Name:(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid
ZINC: ZINC000005739057
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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