BioLiP

PDB

BioLiP

PDB CCD ID:

FVV

Number of entries in BioLiP:

Chemical formula:

C17 H16 F N3

InChI:

InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2

InChIKey:

LXOFDRFYSDHQTI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1
ACDLabs 12.01	c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F

Name:

10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole

ChEMBL:

CHEMBL1624889

ZINC:

ZINC000004334103

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).