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BioLiP

PDB CCD ID: DSV
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N O4 S2
InChI: InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-13-12-5-3-4-6-14(12)23-15(13)9-11/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1
InChIKey: RZWYSEXQXOXWKA-INIZCTEOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1
CACTVS 3.341CC(C)[C@H](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1
CACTVS 3.341CC(C)[CH](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O
ACDLabs 10.04O=C(O)C(NS(=O)(=O)c2ccc1c3ccccc3sc1c2)C(C)C
Name:N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine
DrugBank: DB07683
ZINC: ZINC000053683149
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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