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BioLiP

PDB CCD ID: 8K0
Number of entries in BioLiP: 1
Chemical formula: C15 H16 Br N O4 S
InChI: InChI=1S/C15H16BrNO4S/c16-13-8-9-14(12-6-2-1-5-11(12)13)22(20,21)17-10-4-3-7-15(18)19/h1-2,5-6,8-9,17H,3-4,7,10H2,(H,18,19)
InChIKey: OGTDHOOIGRXVIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCN[S](=O)(=O)c1ccc(Br)c2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O
Name:5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
ChEMBL: CHEMBL4285291
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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