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BioLiP

PDB CCD ID: FXE
Number of entries in BioLiP: 4
Chemical formula: C17 H18 N4 O3
InChI: InChI=1S/C17H18N4O3/c1-21-12-8-6-10-14(24-3)15(12)16(20-21)19-17(22)18-11-7-4-5-9-13(11)23-2/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKey: JTBMRDKIPGSWTG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC
CACTVS 3.385COc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23
ACDLabs 12.01O=C(Nc1ccccc1OC)Nc3nn(c2cccc(OC)c23)C
Name:1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea
ChEMBL: CHEMBL1323288
ZINC: ZINC000000147646
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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