BioLiP

PDB

BioLiP

PDB CCD ID:

P98

Number of entries in BioLiP:

Chemical formula:

C26 H23 N3 O

InChI:

InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3

InChIKey:

DUSPRZSUFQRSKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4
CACTVS 3.385	CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1c5ccccc5
ACDLabs 12.01	n4c3ccc(OCc1nc2c(cc1)cccc2)cc3n(c4C(C)C)c5ccccc5

Name:

2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline

ChEMBL:

CHEMBL3091492

ZINC:

ZINC000095921005

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).