BioLiP

PDB

BioLiP

PDB CCD ID:

091

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O

InChI:

InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/t11-/m1/s1

InChIKey:

FQSHLSLQUHZOMV-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)C3(CCNC3)C(=O)N2
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2
CACTVS 3.370	O=C1Nc2ccccc2[C@]13CCNC3
ACDLabs 12.01	O=C2Nc1c(cccc1)C23CCNC3
CACTVS 3.370	O=C1Nc2ccccc2[C]13CCNC3

Name:

(3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one

ChEMBL:

CHEMBL2181988

ZINC:

ZINC000095577096

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).