SEQ2FUN

BioLiP

PDB CCD ID: UFO
Number of entries in BioLiP: 4
Chemical formula: C11 H17 N3
InChI: InChI=1S/C11H17N3/c1-13-5-6-14(2)11-7-9(8-12)3-4-10(11)13/h3-4,7H,5-6,8,12H2,1-2H3
InChIKey: TWGYATHIWDUKGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1CCN(c2c1ccc(c2)CN)C
CACTVS 3.341CN1CCN(C)c2cc(CN)ccc12
ACDLabs 10.04c2c(cc1c(N(CCN1C)C)c2)CN
Name:1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
DrugBank: DB08685
ZINC: ZINC000004200686
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).