BioLiP

PDB

BioLiP

PDB CCD ID:

DJ9

Number of entries in BioLiP:

Chemical formula:

C23 H20 N4 O3

InChI:

InChI=1S/C23H20N4O3/c1-28-18-11-15(12-19(29-2)22(18)30-3)20-21-16(7-9-25-20)26-23(27-21)14-5-4-13-6-8-24-17(13)10-14/h4-12,24H,1-3H3,(H,26,27)

InChIKey:

SQSZRGOISCZCTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4
CACTVS 3.385	COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4ccc5cc[nH]c5c4
ACDLabs 12.01	COc1c(OC)cc(cc1OC)c2c3c(ccn2)nc(n3)c4ccc5c(c4)ncc5

Name:

2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine

ChEMBL:

CHEMBL3633361

ZINC:

ZINC000473170917

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).