BioLiP

PDB

BioLiP

PDB CCD ID:

2LK

Number of entries in BioLiP:

Chemical formula:

C19 H16 Cl N3 O

InChI:

InChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)15-5-8-18-17(9-15)21-11-23(18)10-14-3-6-16(20)7-4-14/h3-9,11H,10H2,1-2H3

InChIKey:

WPKUYRYYDUHEAQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccc(cc1)Cn2c4c(nc2)cc(c3c(onc3C)C)cc4
OpenEye OEToolkits 1.7.6	Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl
CACTVS 3.385	Cc1onc(C)c1c2ccc3n(Cc4ccc(Cl)cc4)cnc3c2

Name:

1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole

ChEMBL:

CHEMBL3220864

ZINC:

ZINC000095921428

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).