BioLiP

PDB

BioLiP

PDB CCD ID:

EHX

Number of entries in BioLiP:

Chemical formula:

C12 H11 N O2

InChI:

InChI=1S/C12H11NO2/c14-15-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13-12/h1-7,13-14H,8H2/t12-/m1/s1

InChIKey:

UZUUDVVIIUNBSP-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO
CACTVS 3.385	OO[C@]12CC=CC=C1c3ccccc3N2
CACTVS 3.385	OO[C]12CC=CC=C1c3ccccc3N2
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C3=CC=CCC3(N2)OO

Name:

(9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole

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).