BioLiP

PDB

BioLiP

PDB CCD ID:

MMY

Number of entries in BioLiP:

Chemical formula:

C19 H20 N8 O

InChI:

InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23)

InChIKey:

WZVLQVVHYKFKAZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5
CACTVS 3.370	Nc1ncc(cn1)c2nc(nc3N(CCc23)c4cccnc4)N5CCOCC5
ACDLabs 12.01	n1c4c(c(nc1N2CCOCC2)c3cnc(nc3)N)CCN4c5cccnc5

Name:

5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine

ChEMBL:

CHEMBL1684986

ZINC:

ZINC000066075363

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).