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BioLiP

PDB CCD ID: AV9
Number of entries in BioLiP: 5
Chemical formula: C22 H19 Cl N4 O5
InChI: InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)
InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1cc2nccc(Oc3ccc(NC(=O)N=C4NOC(=C4)C)c(Cl)c3)c2cc1OC
ACDLabs 12.01O=C(\N=C1/C=C(ON1)C)Nc4ccc(Oc2c3cc(OC)c(OC)cc3ncc2)cc4Cl
OpenEye OEToolkits 1.7.6CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1
OpenEye OEToolkits 1.7.6CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1
Name:TIVOZANIB;
1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea
ChEMBL: CHEMBL1289494
DrugBank: DB11800
ZINC: ZINC000001489430
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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