SEQ2FUN

BioLiP

PDB CCD ID: A1AM6
Number of entries in BioLiP: 3
Chemical formula: C11 H18 N4
InChI: InChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3
InChIKey: JMSBGUKOMZSBMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)N1CCN(CC1)c2ncccn2
ACDLabs 12.01CC(C)N1CCN(CC1)c1ncccn1
Name:2-[4-(propan-2-yl)piperazin-1-yl]pyrimidine
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).