BioLiP

PDB

BioLiP

PDB CCD ID:

MXV

Number of entries in BioLiP:

Chemical formula:

C24 H22 N4 O3

InChI:

InChI=1S/C24H22N4O3/c1-28-11-9-15-16(6-5-7-18(15)28)24-26-17-8-10-25-21(22(17)27-24)14-12-19(29-2)23(31-4)20(13-14)30-3/h5-13H,1-4H3,(H,26,27)

InChIKey:

LCQATVJMJZBCON-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5n(C)ccc45
OpenEye OEToolkits 2.0.7	Cn1ccc2c1cccc2c3[nH]c4ccnc(c4n3)c5cc(c(c(c5)OC)OC)OC

Name:

2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine

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).