BioLiP

PDB

BioLiP

PDB CCD ID:

ECU

Number of entries in BioLiP:

Chemical formula:

C12 H9 Br N4 O

InChI:

InChI=1S/C12H9BrN4O/c13-8-2-1-7-9(17-4-3-15-6-17)5-10(14)16-11(7)12(8)18/h1-6,18H,(H2,14,16)

InChIKey:

WABMJAQUYDUNTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br
CACTVS 3.385	Nc1cc(n2ccnc2)c3ccc(Br)c(O)c3n1

Name:

2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol

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).