BioLiP

PDB

BioLiP

PDB CCD ID:

4F7

Number of entries in BioLiP:

Chemical formula:

C19 H16 N4

InChI:

InChI=1S/C19H16N4/c1-2-6-14(7-3-1)18-13-21-19(23-18)11-10-15-12-20-16-8-4-5-9-17(16)22-15/h1-9,12-13H,10-11H2,(H,21,23)

InChIKey:

HMXBVTKCTWFFHC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3
CACTVS 3.385	C(Cc1cnc2ccccc2n1)c3[nH]cc(n3)c4ccccc4
ACDLabs 12.01	c1ccccc1c2nc(nc2)CCc4cnc3ccccc3n4

Name:

2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline

ChEMBL:

CHEMBL2180006

ZINC:

ZINC000072318705

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).