BioLiP

PDB

BioLiP

PDB CCD ID:

8Q5

Number of entries in BioLiP:

Chemical formula:

C20 H23 N5 O

InChI:

InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)

InChIKey:

QTOFVYOMOKYCEQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4
CACTVS 3.385	CC(C)CNc1nccn2c(cnc12)c3ccc(cc3)C(=O)NC4CC4

Name:

~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

ChEMBL:

CHEMBL3410060

ZINC:

ZINC000205323522

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).