SEQ2FUN

BioLiP

PDB CCD ID: ORG
Number of entries in BioLiP: 1
Chemical formula: C14 H21 N7
InChI: InChI=1S/C14H21N7/c15-10-12-18-13(17-11-4-2-1-3-5-11)20-14(19-12)21-8-6-16-7-9-21/h11,16H,1-9H2,(H,17,18,19,20)
InChIKey: ZBLLHXCRPWKVCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N
CACTVS 3.352N#Cc1nc(NC2CCCCC2)nc(n1)N3CCNCC3
Name:4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
ChEMBL: CHEMBL1084679
ZINC: ZINC000006745699
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).