BioLiP

PDB

BioLiP

PDB CCD ID:

A1D9Q

Number of entries in BioLiP:

Chemical formula:

C11 H9 Cl2 N O

InChI:

InChI=1S/C11H9Cl2NO/c1-6-2-3-8-7(4-6)10(9(15)14-8)5-11(10,12)13/h2-4H,5H2,1H3,(H,14,15)/t10-/m0/s1

InChIKey:

ZLVLBGNQLFDEAB-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)[C@@]3(CC3(Cl)Cl)C(=O)N2
CACTVS 3.385	Cc1ccc2NC(=O)[C]3(CC3(Cl)Cl)c2c1
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)C3(CC3(Cl)Cl)C(=O)N2
CACTVS 3.385	Cc1ccc2NC(=O)[C@]3(CC3(Cl)Cl)c2c1

Name:

(3~{S})-1',1'-bis(chloranyl)-5-methyl-spiro[1~{H}-indole-3,2'-cyclopropane]-2-one

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).