BioLiP

PDB

BioLiP

PDB CCD ID:

GIO

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O2

InChI:

InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1

InChIKey:

OWOHLURDBZHNGG-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O=C1CNC(=O)[C@@H]2CCCN12
OpenEye OEToolkits 1.5.0	C1CC2C(=O)NCC(=O)N2C1
OpenEye OEToolkits 1.5.0	C1C[C@H]2C(=O)NCC(=O)N2C1
CACTVS 3.341	O=C1CNC(=O)[CH]2CCCN12
ACDLabs 10.04	O=C1N2C(C(=O)NC1)CCC2

Name:

CYCLO-(GLYCINE-L-PROLINE) INHIBITOR;
(8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE

ChEMBL:

CHEMBL360216

DrugBank:

DB04541

ZINC:

ZINC000000402826

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).