BioLiP

PDB

BioLiP

PDB CCD ID:

T11

Number of entries in BioLiP:

Chemical formula:

C11 H12 F3 N3 O2

InChI:

InChI=1S/C11H12F3N3O2/c12-11(13,14)10(16-17-10)7-3-1-6(2-4-7)5-8(15)9(18)19/h1-4,8,16-17H,5,15H2,(H,18,19)/t8-/m0/s1

InChIKey:

XCRAOXMHVJUSSJ-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F
CACTVS 3.341	N[CH](Cc1ccc(cc1)C2(NN2)C(F)(F)F)C(O)=O
CACTVS 3.341	N[C@@H](Cc1ccc(cc1)C2(NN2)C(F)(F)F)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(C(=O)O)N)C2(NN2)C(F)(F)F
ACDLabs 10.04	O=C(O)C(N)Cc1ccc(cc1)C2(NN2)C(F)(F)F

Name:

4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-3-YL]-L-PHENYLALANINE

ZINC:

ZINC000024981807

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).