BioLiP

PDB

BioLiP

PDB CCD ID:

0T6

Number of entries in BioLiP:

Chemical formula:

C18 H15 Cl N4 O2

InChI:

InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3

InChIKey:

ZXGQTWGCVTUQHJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc4ccccc4c3nc(c2nnc1c(OC)cc(OC)cc1n23)C
OpenEye OEToolkits 1.7.6	Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC
CACTVS 3.370	COc1cc(OC)c2nnc3n(c2c1)c(nc3C)c4ccccc4Cl

Name:

1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

ChEMBL:

CHEMBL2069321

ZINC:

ZINC000068206864

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).