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BioLiP

PDB CCD ID: MMY
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5
CACTVS 3.370Nc1ncc(cn1)c2nc(nc3N(CCc23)c4cccnc4)N5CCOCC5
ACDLabs 12.01n1c4c(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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