BioLiP

PDB

BioLiP

PDB CCD ID:

IXF

Number of entries in BioLiP:

Chemical formula:

C17 H20 N6

InChI:

InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)

InChIKey:

CRSDIJKYSOUKQH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N
ACDLabs 12.01	n1cc(cc2c1nc(nc2N)N)N(c3ccc(cc3)C(C)C)C
CACTVS 3.370	CC(C)c1ccc(cc1)N(C)c2cnc3nc(N)nc(N)c3c2

Name:

N~6~-methyl-N~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine

ChEMBL:

CHEMBL2382332

ZINC:

ZINC000095921004

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).