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BioLiP

PDB CCD ID: 2RM
Number of entries in BioLiP: 2
Chemical formula: C22 H16 F2 N2 O3 S
InChI: InChI=1S/C22H16F2N2O3S/c23-17-10-18(24)12-21(11-17)30(28,29)20-7-3-15(4-8-20)13-25-22(27)16-5-6-19-2-1-9-26(19)14-16/h1-12,14H,13H2,(H,25,27)
InChIKey: HRYUEDONVSHEJS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F
CACTVS 3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4cccn4c3)cc2
ACDLabs 12.01Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4ccc3cccn3c4
Name:N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
ZINC: ZINC000098208250
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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