SEQ2FUN

BioLiP

PDB CCD ID: O83
Number of entries in BioLiP: 2
Chemical formula: C16 H16 F2 N2
InChI: InChI=1S/C16H16F2N2/c1-19-9-11-6-7-15-13(8-11)12-4-2-3-5-14(12)20(15)10-16(17)18/h2-8,16,19H,9-10H2,1H3
InChIKey: RDPWHUKZFUEICI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCc1ccc2n(CC(F)F)c3ccccc3c2c1
ACDLabs 12.01c12n(c3c(c1cccc2)cc(cc3)CNC)CC(F)F
OpenEye OEToolkits 1.7.6CNCc1ccc2c(c1)c3ccccc3n2CC(F)F
Name:1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine
ZINC: ZINC000584905642
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).