SEQ2FUN

BioLiP

PDB CCD ID: A1CFY
Number of entries in BioLiP: 1
Chemical formula: C7 H11 N3
InChI: InChI=1S/C7H11N3/c1-2-3-7-9-5-4-6(8)10-7/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKey: BTMCCOMLYMKBFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52CCCc1nc(N)ccn1
OpenEye OEToolkits 3.1.0.0CCCc1nccc(n1)N
CACTVS 3.385CCCc1nccc(N)n1
Name:2-propylpyrimidin-4-amine
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).