BioLiP

PDB

BioLiP

PDB CCD ID:

3EY

Number of entries in BioLiP:

Chemical formula:

C19 H19 F N4 O3

InChI:

InChI=1S/C19H19FN4O3/c20-15-9-13(12-1-2-12)3-4-16(15)22-18-14(19(26)23-27-8-7-25)5-6-24-11-21-10-17(18)24/h3-6,9-12,22,25H,1-2,7-8H2,(H,23,26)

InChIKey:

SXXAGUWDTVENNX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO
CACTVS 3.385	OCCONC(=O)c1ccn2cncc2c1Nc3ccc(cc3F)C4CC4
ACDLabs 12.01	Fc1cc(ccc1Nc2c(ccn3c2cnc3)C(=O)NOCCO)C4CC4

Name:

8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide

ZINC:

ZINC000098208435

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).