SEQ2FUN

BioLiP

PDB CCD ID: 0OX
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N4 O2
InChI: InChI=1S/C10H14N4O2/c11-8-7(9(12)15)5-13-10(14-8)16-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,15)(H2,11,13,14)
InChIKey: YTVJKSRJMDSHEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC(=O)c1cnc(OC2CCCC2)nc1N
OpenEye OEToolkits 1.7.6c1c(c(nc(n1)OC2CCCC2)N)C(=O)N
ACDLabs 12.01O=C(c2cnc(OC1CCCC1)nc2N)N
Name:4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
ChEMBL: CHEMBL2030350
ZINC: ZINC000084654826
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).