BioLiP

PDB

BioLiP

PDB CCD ID:

IQ1

Number of entries in BioLiP:

Chemical formula:

C21 H20 N4

InChI:

InChI=1S/C21H20N4/c1-21(2,3)20-24-18(14-8-10-22-11-9-14)19(25-20)16-12-15-6-4-5-7-17(15)23-13-16/h4-13H,1-3H3,(H,24,25)

InChIKey:

WOMTUQORZZQBPJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4
CACTVS 3.385	CC(C)(C)c1[nH]c(c2ccncc2)c(n1)c3cnc4ccccc4c3
ACDLabs 12.01	n4c(c1cnc2c(c1)cccc2)c(c3ccncc3)nc4C(C)(C)C

Name:

3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE

ChEMBL:

CHEMBL2030517

ZINC:

ZINC000084653608

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).