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BioLiP

PDB CCD ID: 9DS
Number of entries in BioLiP: 2
Chemical formula: C15 H18 N2 O4 S
InChI: InChI=1S/C15H18N2O4S/c1-16(2)13-8-4-7-12-11(13)6-5-9-14(12)22(20,21)17(3)10-15(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKey: BRLJKBOXIVONAG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O
CACTVS 3.352CN(C)c1cccc2c1cccc2[S](=O)(=O)N(C)CC(O)=O
ACDLabs 10.04O=C(O)CN(C)S(=O)(=O)c1cccc2c1cccc2N(C)C
OpenEye OEToolkits 1.6.1CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)O
Name:DANSYL-L-SARCOSINE
ChEMBL: CHEMBL1230668
ZINC: ZINC000002545088
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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