BioLiP

PDB

BioLiP

PDB CCD ID:

LIH

Number of entries in BioLiP:

Chemical formula:

C18 H17 N7

InChI:

InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)

InChIKey:

KMSATRJZEXNGDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4
ACDLabs 10.04	n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4
CACTVS 3.341	Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c14

Name:

6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE;
SRI-9439

ChEMBL:

CHEMBL151958

DrugBank:

DB03351

ZINC:

ZINC000012503486

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).