BioLiP

PDB

BioLiP

PDB CCD ID:

A1H6K

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl N3 O2

InChI:

InChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)12-5-6-13-16-11(7-14(19)20)8-18(13)17-12/h1-6,8H,7H2,(H,19,20)

InChIKey:

CYEABSUHPBMHRO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1cn2nc(ccc2n1)c3ccc(Cl)cc3
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2ccc3nc(cn3n2)CC(=O)O)Cl

Name:

2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]ethanoic acid

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).