BioLiP

PDB

BioLiP

PDB CCD ID:

Z21

Number of entries in BioLiP:

Chemical formula:

C10 H9 Br N6 O

InChI:

InChI=1S/C10H9BrN6O/c1-2-17-6-3-7(11)13-4-5(6)14-10(17)8-9(12)16-18-15-8/h3-4H,2H2,1H3,(H2,12,16)

InChIKey:

BDVLCOBTGBLROW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCn1c2cc(Br)ncc2nc1c3nonc3N
OpenEye OEToolkits 1.9.2	CCn1c2cc(ncc2nc1c3c(non3)N)Br
ACDLabs 12.01	Brc1ncc2nc(n(c2c1)CC)c3nonc3N

Name:

4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine

ZINC:

ZINC000035086791

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).