PDB CCD ID: | CHQ |
Number of entries in BioLiP: | 4 |
Chemical formula: | C11 H14 N4 O2 |
InChI: | InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1 |
InChIKey: | NAKUGCPAQTUSBE-IUCAKERBSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | O=C1N[CH](Cc2[nH]cnc2)C(=O)N3CCC[CH]13 | OpenEye OEToolkits 1.5.0 | c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2 | CACTVS 3.341 | O=C1N[C@@H](Cc2[nH]cnc2)C(=O)N3CCC[C@@H]13 | ACDLabs 10.04 | O=C1N3CCCC3C(=O)NC1Cc2cncn2 | OpenEye OEToolkits 1.5.0 | c1c([nH]cn1)CC2C(=O)N3CCCC3C(=O)N2 |
|
Name: | CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR; (3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE |
ChEMBL: | CHEMBL188225 |
DrugBank: | DB02414 |
ZINC: | ZINC000004899569 |