BioLiP

PDB

BioLiP

PDB CCD ID:

SCW

Number of entries in BioLiP:

Chemical formula:

C18 H14 Br N5

InChI:

InChI=1S/C18H14BrN5/c19-17-10-23-18-16(22-9-13-7-20-12-21-8-13)6-15(11-24(17)18)14-4-2-1-3-5-14/h1-8,10-12,22H,9H2

InChIKey:

LZLKFNBMXXLTLX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Brc1cnc2c(cc(cn12)c3ccccc3)NCc4cncnc4
CACTVS 3.341	Brc1cnc2n1cc(cc2NCc3cncnc3)c4ccccc4
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4

Name:

3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine

DrugBank:

DB08537

ZINC:

ZINC000003820146

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).