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BioLiP Library

PDB CCD ID: A75
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N O4 S
InChI: InChI=1S/C17H17NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2,(H,19,20)
InChIKey: RRXVUYHFDBLTEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3
CACTVS 3.341OC(=O)c1c2CCCCc2ccc1N[S](=O)(=O)c3ccccc3
ACDLabs 10.04O=S(=O)(c1ccccc1)Nc2ccc3c(c2C(=O)O)CCCC3
Name:2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
ChEMBL: CHEMBL380394
DrugBank: DB07322
ZINC: ZINC000014964415
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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