SEQ2FUN

BioLiP

PDB CCD ID: EV2
Number of entries in BioLiP: 4
Chemical formula: C12 H14 N4
InChI: InChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14)
InChIKey: LWWDIFFPFOZSSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c3ccccc3nc(c1N2CCCC2)N
CACTVS 3.341Nc1nc2ccccc2nc1N3CCCC3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)nc(c(n2)N3CCCC3)N
Name:3-pyrrolidin-1-ylquinoxalin-2-amine
ChEMBL: CHEMBL1232596
ZINC: ZINC000002445477
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).