BioLiP

PDB

BioLiP

PDB CCD ID:

ZVE

Number of entries in BioLiP:

Chemical formula:

C10 H14 F3 N3

InChI:

InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1

InChIKey:

ZPUMPEAGLZCEBQ-SSDOTTSWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cn1cc(nc1C1CNCCC1)C(F)(F)F
OpenEye OEToolkits 2.0.7	Cn1cc(nc1C2CCCNC2)C(F)(F)F
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F
CACTVS 3.385	Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F

Name:

(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

ZINC:

ZINC000238860517

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).