BioLiP

PDB

BioLiP

PDB CCD ID:

0T7

Number of entries in BioLiP:

Chemical formula:

C25 H24 N4 O

InChI:

InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3

InChIKey:

GTARNYHXAGVZST-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C
OpenEye OEToolkits 1.7.6	CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C
CACTVS 3.370	CCCc1nc(C)c2n1c3ccc(OCc4ccc5ccccc5n4)cc3nc2C

Name:

3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline

ZINC:

ZINC000095921213

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).