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BioLiP

PDB CCD ID: 082
Number of entries in BioLiP: 2
Chemical formula: C26 H20 N4 O6
InChI: InChI=1S/C26H20N4O6/c1-26(23(31)27-24(32)35-26)16-7-5-6-15(12-16)14-29-19-8-3-4-9-20(19)30(25(29)33)22-18-11-10-17(34-2)13-21(18)36-28-22/h3-13H,14H2,1-2H3,(H,27,31,32)/t26-/m1/s1
InChIKey: FOYKYLQAKICGEN-AREMUKBSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC
ACDLabs 12.01O=C1NC(=O)OC1(c2cccc(c2)CN6c3ccccc3N(c5noc4cc(OC)ccc45)C6=O)C
CACTVS 3.370COc1ccc2c(onc2N3C(=O)N(Cc4cccc(c4)[C]5(C)OC(=O)NC5=O)c6ccccc36)c1
CACTVS 3.370COc1ccc2c(onc2N3C(=O)N(Cc4cccc(c4)[C@@]5(C)OC(=O)NC5=O)c6ccccc36)c1
OpenEye OEToolkits 1.7.2C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC
Name:(5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
ChEMBL: CHEMBL1947144
ZINC: ZINC000035880684
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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