BioLiP

PDB

BioLiP

PDB CCD ID:

KTZ

Number of entries in BioLiP:

Chemical formula:

C20 H19 N5

InChI:

InChI=1S/C20H19N5/c1-25(2)19-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)22-18(16)23-20(21)24-19/h3-12H,1-2H3,(H3,21,22,23,24)

InChIKey:

DDOAMBAFKLSUFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1c3c(c(nc1N)N(C)C)c(c(c2ccccc2)n3)c4ccccc4
CACTVS 3.385	CN(C)c1nc(N)nc2[nH]c(c3ccccc3)c(c4ccccc4)c12
OpenEye OEToolkits 1.9.2	CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4

Name:

N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

ChEMBL:

CHEMBL3318920

ZINC:

ZINC000222801138

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).