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BioLiP Library

PDB CCD ID: GIO
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.341O=C1CNC(=O)[C@@H]2CCCN12
OpenEye OEToolkits 1.5.0C1CC2C(=O)NCC(=O)N2C1
OpenEye OEToolkits 1.5.0C1C[C@H]2C(=O)NCC(=O)N2C1
CACTVS 3.341O=C1CNC(=O)[CH]2CCCN12
ACDLabs 10.04O=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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