BioLiP

PDB

BioLiP

PDB CCD ID:

FXE

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC
CACTVS 3.385	COc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23
ACDLabs 12.01	O=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, Lydia 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).