SEQ2FUN

BioLiP

PDB CCD ID: EV0
Number of entries in BioLiP: 3
Chemical formula: C7 H11 N3 O
InChI: InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)
InChIKey: FSYKBAWAYYELHH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1C=C(N=C(N)N1)CCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCC1=CC(=O)NC(=N1)N
Name:2-amino-6-propylpyrimidin-4(3H)-one
ChEMBL: CHEMBL235825
ZINC: ZINC000020595793
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).