BioLiP

PDB

BioLiP

PDB CCD ID:

BS8

Number of entries in BioLiP:

Chemical formula:

C11 H8 F N5

InChI:

InChI=1S/C11H8FN5/c12-8-5-14-3-1-6(8)7-2-4-15-10-9(7)16-11(13)17-10/h1-5H,(H3,13,15,16,17)

InChIKey:

AYORLAGKWMLGEX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cncc(c1c2ccnc3c2[nH]c(n3)N)F
CACTVS 3.385	Nc1[nH]c2c(ccnc2n1)c3ccncc3F

Name:

7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine

ChEMBL:

CHEMBL4561244

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).