SEQ2FUN

BioLiP

PDB CCD ID: C4Q
Number of entries in BioLiP: 0
Chemical formula: C18 H27 N5
InChI: InChI=1S/C18H27N5/c1-2-4-18-17(3-1)16(5-6-22-18)15-23-13-11-20-9-7-19-8-10-21-12-14-23/h1-6,19-21H,7-15H2
InChIKey: ZOBKJHWKGWGMPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1c(cccc1)c(cc2)CN3CCNCCNCCNCC3
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3
CACTVS 3.370C1CNCCN(CCNCCN1)Cc2ccnc3ccccc23
Name:4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline
ZINC: ZINC000095920901
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).