BioLiP

PDB

BioLiP

PDB CCD ID:

LCJ

Number of entries in BioLiP:

Chemical formula:

C16 H14 F I N4 O3

InChI:

InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)

InChIKey:

RFWVETIZUQEJEF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
ACDLabs 12.01	c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I
CACTVS 3.385	OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F

Name:

5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

ChEMBL:

CHEMBL3330650

DrugBank:

DB11982

ZINC:

ZINC000043206499

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).