BioLiP

PDB

BioLiP

PDB CCD ID:

W2M

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O

InChI:

InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1

InChIKey:

ABOZUPQQWCLVDB-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1Nc2ccccc2C[C]13CCCN3
CACTVS 3.385	O=C1Nc2ccccc2C[C@]13CCCN3
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CC3(CCCN3)C(=O)N2
ACDLabs 12.01	N3C2(Cc1c(cccc1)NC2=O)CCC3
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2

Name:

(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-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).