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BioLiP

PDB CCD ID: 7T9
Number of entries in BioLiP: 2
Chemical formula: C17 H19 F N2 O2 S
InChI: InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
InChIKey: QXQSUBKWSHMXDP-INIZCTEOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F
ACDLabs 10.04Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C(C)C)C2)cc3
OpenEye OEToolkits 1.6.1CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)c3ccc(nc3)F
CACTVS 3.352CC(C)[S](=O)(=O)N[CH]1Cc2ccc(cc2C1)c3ccc(F)nc3
CACTVS 3.352CC(C)[S](=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(F)nc3
Name:N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE
ChEMBL: CHEMBL1214399
ZINC: ZINC000034658852
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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