SEQ2FUN

BioLiP

PDB CCD ID: P83
Number of entries in BioLiP: 1
Chemical formula: C16 H18 N2
InChI: InChI=1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3
InChIKey: LBPNOEAFWYTTEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04c1cccc3c1c2c(ccc(c2)CNC)n3CC
CACTVS 3.341CCn1c2ccccc2c3cc(CNC)ccc13
OpenEye OEToolkits 1.5.0CCn1c2ccccc2c3c1ccc(c3)CNC
Name:1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
ChEMBL: CHEMBL1235116
DrugBank: DB08363
ZINC: ZINC000003888893
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).