SEQ2FUN

BioLiP

PDB CCD ID: VYP
Number of entries in BioLiP: 1
Chemical formula: C12 H14 N6 O
InChI: InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)
InChIKey: WCSNDONKXWSCEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncc(cn1)c2ccnc(n2)N3CCOCC3
OpenEye OEToolkits 2.0.7c1cnc(nc1c2cnc(nc2)N)N3CCOCC3
ACDLabs 12.01c2cnc(N1CCOCC1)nc2c3cnc(nc3)N
Name:2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine
ChEMBL: CHEMBL1672331
ZINC: ZINC000066077052
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).