SEQ2FUN

BioLiP

PDB CCD ID: 4GT
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N5 O
InChI: InChI=1S/C10H15N5O/c11-8-7(9(12)16)5-13-10(15-8)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,16)(H3,11,13,14,15)
InChIKey: NNNGDGCCKKOXPR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1cnc(NC2CCCC2)nc1N
OpenEye OEToolkits 1.9.2c1c(c(nc(n1)NC2CCCC2)N)C(=O)N
ACDLabs 12.01c1c(C(N)=O)c(nc(n1)NC2CCCC2)N
Name:4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
ChEMBL: CHEMBL2030357
ZINC: ZINC000084668350
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).