SEQ2FUN

BioLiP

PDB CCD ID: 6ZG
Number of entries in BioLiP: 1
Chemical formula: C18 H21 N5
InChI: InChI=1S/C18H21N5/c1-13-4-6-14(7-5-13)15-12-16-17(21-11-10-20-16)18(23-15)22-9-3-2-8-19/h4-7,10-12H,2-3,8-9,19H2,1H3,(H,22,23)
InChIKey: FYJFZOONLWHKMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)c2cc3nccnc3c(NCCCCN)n2
OpenEye OEToolkits 2.0.5Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3
Name:~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
ChEMBL: CHEMBL4436576
ZINC: ZINC000203754361
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).