SEQ2FUN

BioLiP

PDB CCD ID: VIE
Number of entries in BioLiP: 1
Chemical formula: C12 H18 N2
InChI: InChI=1S/C12H18N2/c1-14(2)12(9-13)7-10-5-3-4-6-11(10)8-12/h3-6H,7-9,13H2,1-2H3
InChIKey: HMOHYBNTVUOZSB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CN(C)C1(Cc2ccccc2C1)CN
CACTVS 3.385CN(C)C1(CN)Cc2ccccc2C1
Name:2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
ChEMBL: CHEMBL4548818
ZINC: ZINC000037374686
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).