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BioLiP Library

PDB CCD ID: 3S5
Number of entries in BioLiP: 4
Chemical formula: C3 H9 N3 O3 S
InChI: InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChIKey: JKLRIMRKZBSSED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CS(=O)(=O)O)NC(=N)N
ACDLabs 12.01O=S(=O)(O)CCNC(=[N@H])N
OpenEye OEToolkits 1.9.2[H]/N=C(/N)\NCCS(=O)(=O)O
CACTVS 3.385NC(=N)NCC[S](O)(=O)=O
Name:Taurocyamine;
2-carbamimidamidoethanesulfonic acid
ChEMBL: CHEMBL21832
ZINC: ZINC000004095756
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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