BioLiP

PDB

BioLiP

PDB CCD ID:

RKK

Number of entries in BioLiP:

Chemical formula:

C19 H26 N6

InChI:

InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24)

InChIKey:

IQINXSAAPBBCLN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3
OpenEye OEToolkits 2.0.7	CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N

Name:

4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine;
4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine

ChEMBL:

CHEMBL5091644

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).