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BioLiP

PDB CCD ID: HCS
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2 S
InChI: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKey: FFFHZYDWPBMWHY-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](CCS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCS
OpenEye OEToolkits 1.5.0C(CS)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCS)C(O)=O
OpenEye OEToolkits 1.5.0C(CS)C(C(=O)O)N
Name:2-AMINO-4-MERCAPTO-BUTYRIC ACID;
L-Homocysteine
ChEMBL: CHEMBL469662
DrugBank: DB04422
ZINC: ZINC000000895077
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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