Inhibitor Report for: W22
| W22 | Type | Benzodiazepin |
|---|
| | Diazepan |
| | Azepane |
| Other_Name | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid |
| | SCHEMBL8503077 |
| | DB08717 |
| | (2S)-3(2H)-Oxo-4-methyl-4,5-dihydro-1H-1,4-benzodiazepine-2beta-acetic acid |
| Chemical_Nomenclature | 2-[(2S)-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid |
| Formula | C12H14N2O3 |
| MW | 234.25 |
|  |
| Paper | Bourne_2000_Structure.Fold.Des_8_143 |
| | Roberts_2004_Green.Chem_6_475 |
| Structure | 2WKW |
| Comment | A precursor of Lotrafiban ( a potent non-peptidic antagonist that inhibits platelet aggregation). The S enantiomer is necessary for activity.Hydrolysis of racemic W22-Acetate by Lipase Novozyme 435 results in only the S isomer product |
| Gene_locus | alcsp-cxest |
| CID | 11117974 |
| Family | Bacterial_esterase |
| InChIKey | CLWDLBDPVUWYEW-JTQLQIEISA-N |
| CanonicalSMILES | CN1CC2=CC=CC=C2N[C@H](C1=O)CC(=O)O |
| InChI | InChI=1S/C12H14N2O3/c1-14-7-8-4-2-3-5-9(8)13-10(12(14)17)6-11(15)16/h2-5,10,13H,6-7H2,1H3,(H,15,16)/t10-/m0/s1 |
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