BioLiP

PDB

BioLiP

PDB CCD ID:

A1L1S

Number of entries in BioLiP:

Chemical formula:

C24 H25 N7 O2

InChI:

InChI=1S/C24H25N7O2/c1-15-3-5-17-7-9-19(30-23(17)26-15)28-21(32)11-13-25-14-12-22(33)29-20-10-8-18-6-4-16(2)27-24(18)31-20/h3-10,25H,11-14H2,1-2H3,(H,26,28,30,32)(H,27,29,31,33)

InChIKey:

QZBZQIYEBGGLJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)Nc3ccc4ccc(nc4n3)C
CACTVS 3.385	Cc1ccc2ccc(NC(=O)CCNCCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1

Name:

~{N}-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxidanylidene-propyl]amino]propanamide

ChEMBL:

CHEMBL5269888

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).