BioLiP

PDB

BioLiP

PDB CCD ID:

ZHW

Number of entries in BioLiP:

Chemical formula:

C9 H10 F N O3 S

InChI:

InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1

InChIKey:

RYLHEHRDZCXSQL-MRVPVSSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FS(=O)(=O)Oc1cccc2c1CCC2N
CACTVS 3.385	N[C@@H]1CCc2c(O[S](F)(=O)=O)cccc12
CACTVS 3.385	N[CH]1CCc2c(O[S](F)(=O)=O)cccc12
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)OS(=O)(=O)F)CC[C@H]2N
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)OS(=O)(=O)F)CCC2N

Name:

(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate

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).