BioLiP

PDB

BioLiP

PDB CCD ID:

D7C

Number of entries in BioLiP:

Chemical formula:

C19 H19 N7 O

InChI:

InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1

InChIKey:

FWIWLYXORKTJJN-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4CC3C)C
CACTVS 3.385	C[CH]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4
OpenEye OEToolkits 2.0.7	Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C
CACTVS 3.385	C[C@H]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4

Name:

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone

ChEMBL:

CHEMBL4559232

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).