BioLiP

PDB

BioLiP

PDB CCD ID:

UYL

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O

InChI:

InChI=1S/C8H12N2O/c11-7-4-8(6-10-7)2-1-3-9-5-8/h6,9H,1-5H2/t8-/m1/s1

InChIKey:

JXAZNKVKSBLOCY-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1C[C]2(CCCNC2)C=N1
CACTVS 3.385	O=C1C[C@@]2(CCCNC2)C=N1
OpenEye OEToolkits 2.0.7	C1C[C@@]2(CC(=O)N=C2)CNC1
OpenEye OEToolkits 2.0.7	C1CC2(CC(=O)N=C2)CNC1
ACDLabs 12.01	O=C1N=CC2(C1)CCCNC2

Name:

(5R)-2,7-diazaspiro[4.5]dec-1-en-3-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).