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BioLiP

PDB CCD ID: BDL
Number of entries in BioLiP: 1
Chemical formula: C18 H21 N O4 S
InChI: InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKey: FBSVJQQVDISETN-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)C[CH](N[S](=O)(=O)c1ccc(cc1)c2ccccc2)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2
ACDLabs 10.04O=C(O)C(NS(=O)(=O)c2ccc(c1ccccc1)cc2)CC(C)C
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2
CACTVS 3.341CC(C)C[C@@H](N[S](=O)(=O)c1ccc(cc1)c2ccccc2)C(O)=O
Name:N-(biphenyl-4-ylsulfonyl)-D-leucine;
(R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid
DrugBank: DB07446
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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