BioLiP

PDB

BioLiP

PDB CCD ID:

A1L17

Number of entries in BioLiP:

Chemical formula:

C16 H11 F3 O3

InChI:

InChI=1S/C16H11F3O3/c1-22-14(20)10-6-4-8-12-13(10)9-5-2-3-7-11(9)15(12,21)16(17,18)19/h2-8,21H,1H3/t15-/m1/s1

InChIKey:

STXAPIKTOCNBKD-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)c1cccc2c1-c3ccccc3C2(C(F)(F)F)O
OpenEye OEToolkits 2.0.7	COC(=O)c1cccc2c1-c3ccccc3[C@@]2(C(F)(F)F)O
CACTVS 3.385	COC(=O)c1cccc2c1c3ccccc3[C]2(O)C(F)(F)F
CACTVS 3.385	COC(=O)c1cccc2c1c3ccccc3[C@]2(O)C(F)(F)F

Name:

methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate

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).