BioLiP

PDB

BioLiP

PDB CCD ID:

D4Y

Number of entries in BioLiP:

Chemical formula:

C8 H6 F N O2

InChI:

InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m0/s1

InChIKey:

XYDTZHMQTYEJQN-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1F)C(C(=O)N2)O
OpenEye OEToolkits 2.0.6	c1cc2c(cc1F)[C@@H](C(=O)N2)O
ACDLabs 12.01	c12C(C(=O)Nc1ccc(c2)F)O
CACTVS 3.385	O[C@@H]1C(=O)Nc2ccc(F)cc12
CACTVS 3.385	O[CH]1C(=O)Nc2ccc(F)cc12

Name:

(3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one

ZINC:

ZINC000000111128

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).