BioLiP

PDB

BioLiP

PDB CCD ID:

7V8

Number of entries in BioLiP:

Chemical formula:

C31 H32 N8 O5

InChI:

InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41)

InChIKey:

VGHSATQVJCTKEF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n2)C(=O)Nc4cc(OCCN)c5ccccc5n4
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(cc(n2)NC(=O)c3cc(cc(n3)C(=O)Nc4cc(c5ccccc5n4)OCCN)OCCN)OCCN

Name:

4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;
Pyridostatin

ChEMBL:

CHEMBL2349416

ZINC:

ZINC000059151964

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).