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Target
Dipeptidyl peptidase 4
Ligand
BDBM50171646
Substrate
n/a
Meas. Tech.
ChEMBL_321507 (CHEMBL880567)
IC50
1600±n/a nM
Citation
 Hu, Y; Ma, L; Wu, M; Wong, MS; Li, B; Corral, S; Yu, Z; Nomanbhoy, T; Alemayehu, S; Fuller, SR; Rosenblum, JS; Rozenkrants, N; Minimo, LC; Ripka, WC; Szardenings, AK; Kozarich, JW; Shreder, KR Synthesis and structure-activity relationship of N-alkyl Gly-boro-Pro inhibitors of DPP4, FAP, and DPP7. Bioorg Med Chem Lett 15:4239-42 (2005) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 4
Synonyms:
ADABP | ADCP2 | Adenosine deaminase complexing protein 2 | CD26 | CD_antigen=CD26 | DPP IV | DPP4 | DPP4_HUMAN | DPPIV | Dipeptidyl peptidase 4 (DDP-IV) | Dipeptidyl peptidase 4 (DPP IV) | Dipeptidyl peptidase 4 (DPP-4) | Dipeptidyl peptidase 4 (DPP4) | Dipeptidyl peptidase 4 (DPPIV) | Dipeptidyl peptidase 4 membrane form | Dipeptidyl peptidase 4 soluble form | Dipeptidyl peptidase IV | Dipeptidyl peptidase IV (DDP-4) | Dipeptidyl peptidase IV (DDP-IV) | Dipeptidyl peptidase IV (DPP IV) | Dipeptidyl peptidase IV membrane form | Dipeptidyl peptidase IV soluble form | Dipeptidyl peptidase-IV (DPP-4) | Dipeptidyl peptidase-IV (DPP-IV) | T-cell activation antigen CD26 | TP103
Type:
Enzyme
Mol. Mass.:
88271.01
Organism:
Homo sapiens (Human)
Description:
P27487
Residue:
766
Sequence:
MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP
  
Inhibitor
Name:
BDBM50171646
Synonyms:
CHEMBL196188 | N-alkyl Gly-boro-Pro derivative
Type:
Small organic molecule
Emp. Form.:
C17H29BN2O3
Mol. Mass.:
320.235
SMILES:
CN(CC(=O)N1CCC[C@@H]1B(O)O)C1C2CC3CC(C2)CC1C3 |wU:9.10,TLB:1:13:15:18.19.17,THB:17:18:13:16.15.22,17:16:13:18.19.20,20:21:15:18.19.17,20:18:15:13.21.22,(7.42,-3.05,;8.52,-4.15,;9.97,-3.63,;11.14,-4.63,;12.59,-4.12,;10.83,-6.16,;9.45,-6.79,;9.59,-8.31,;11.11,-8.64,;11.89,-7.3,;13.43,-7.15,;14.34,-8.42,;14.08,-5.74,;7.19,-4.92,;5.78,-4.35,;4.43,-4.82,;4.44,-6.31,;3.23,-7.58,;4.75,-7.16,;4.75,-5.57,;6.16,-7.72,;7.18,-6.46,;5.78,-6.8,)|
Structure:
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