SEQ2FUN

BioLiP

PDB CCD ID: O82
Number of entries in BioLiP: 2
Chemical formula: C16 H17 F N2
InChI: InChI=1S/C16H17FN2/c1-18-11-12-6-7-16-14(10-12)13-4-2-3-5-15(13)19(16)9-8-17/h2-7,10,18H,8-9,11H2,1H3
InChIKey: QBECHPJOWHCRPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CNCc1ccc2c(c1)c3ccccc3n2CCF
CACTVS 3.385CNCc1ccc2n(CCF)c3ccccc3c2c1
ACDLabs 12.01c12n(c3c(c1cccc2)cc(cc3)CNC)CCF
Name:1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine
ZINC: ZINC000032779360
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).