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BioLiP Library

PDB CCD ID: BCX
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2 S
InChI: InChI=1S/C4H9NO2S/c5-3(2-8)1-4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1
InChIKey: UGPZHAXXEJECMI-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](CS)CC(O)=O
ACDLabs 12.01O=C(O)CC(N)CS
OpenEye OEToolkits 1.7.2C([C@H](CS)N)C(=O)O
OpenEye OEToolkits 1.7.2C(C(CS)N)C(=O)O
CACTVS 3.370N[C@@H](CS)CC(O)=O
Name:(3R)-3-amino-4-sulfanylbutanoic acid
DrugBank: DB02780
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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