BioLiP

PDB

BioLiP

PDB CCD ID:

VLI

Number of entries in BioLiP:

Chemical formula:

C10 H8 F3 N O2

InChI:

InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1

InChIKey:

FIEVIPASBRMCMZ-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2c(NC(=O)[C]2(O)C(F)(F)F)c1
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)NC(=O)[C@@]2(C(F)(F)F)O
CACTVS 3.385	Cc1ccc2c(NC(=O)[C@]2(O)C(F)(F)F)c1
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)NC(=O)C2(C(F)(F)F)O
ACDLabs 12.01	FC(F)(F)C1(O)c2ccc(C)cc2NC1=O

Name:

(3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one

ZINC:

ZINC000002052714

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).