BioLiP

PDB

BioLiP

PDB CCD ID:

JGT

Number of entries in BioLiP:

Chemical formula:

C14 H14 Br N3

InChI:

InChI=1S/C14H14BrN3/c1-9-8-12(15)13(18-14-16-6-7-17-14)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,16,17,18)

InChIKey:

UYAOIRISFNRFCT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(Br)c(NC2=NCCN2)c3ccccc13
OpenEye OEToolkits 2.0.7	Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br

Name:

~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine

ChEMBL:

CHEMBL4636550

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).