BioLiP

PDB

BioLiP

PDB CCD ID:

A1L3A

Number of entries in BioLiP:

Chemical formula:

C20 H15 F3 N8

InChI:

InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3

InChIKey:

QHXLXUIZUCJRKV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1cc2cc(c(cc2n1)F)C(c3nnc4n3nc(cc4)c5cnn(c5)C6CC6)(F)F
CACTVS 3.385	Cn1cc2cc(c(F)cc2n1)C(F)(F)c3nnc4ccc(nn34)c5cnn(c5)C6CC6

Name:

bozitinib;
9-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-3-(1-cyclopropylpyrazol-4-yl)-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraene;
Vebreltinib

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).