BioLiP

PDB

BioLiP

PDB CCD ID:

O80

Number of entries in BioLiP:

Chemical formula:

C17 H17 F3 N2

InChI:

InChI=1S/C17H17F3N2/c1-21(2)10-12-7-8-16-14(9-12)13-5-3-4-6-15(13)22(16)11-17(18,19)20/h3-9H,10-11H2,1-2H3

InChIKey:

FRGFVBVPVDCZLO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F
CACTVS 3.385	CN(C)Cc1ccc2n(CC(F)(F)F)c3ccccc3c2c1
ACDLabs 12.01	c12n(c3c(c1cccc2)cc(cc3)CN(C)C)CC(F)(F)F

Name:

N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine

ZINC:

ZINC000584905634

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).