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Target
Dipeptidyl peptidase 4
Ligand
BDBM50205129
Substrate
n/a
Meas. Tech.
ChEMBL_442235 (CHEMBL892394)
IC50
7.8±n/a nM
Citation
 Kondo, T; Sugimoto, I; Nekado, T; Ochi, K; Ohtani, T; Tajima, Y; Yamamoto, S; Kawabata, K; Nakai, H; Toda, M Design and synthesis of long-acting inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem 15:2715-35 (2007) [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:
BDBM50205129
Synonyms:
(2S)-1-{[(2S,4R)-4-(2-adamantyl)-2-pyrrolidinyl]carbonyl}-2-pyrrolidinecarbonitrile | CHEMBL389138
Type:
Small organic molecule
Emp. Form.:
C20H29N3O
Mol. Mass.:
327.4638
SMILES:
O=C([C@@H]1CC(CN1)C1C2CC3CC(C2)CC1C3)N1CCC[C@H]1C#N |w:4.7,wU:2.1,21.26,TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,TEB:4:7:9:11.12.13,4:7:11.12.14:16,(-1.16,-20.05,;-1.47,-18.54,;-2.93,-18.06,;-3.4,-16.59,;-4.94,-16.58,;-5.42,-18.04,;-4.18,-18.96,;-6.19,-15.68,;-7.63,-16.22,;-8.45,-15.04,;-8.46,-13.62,;-10.08,-12.96,;-9.15,-14.21,;-9.18,-15.73,;-7.68,-13.64,;-6.15,-14.17,;-7.08,-13.09,;-.32,-17.52,;-.47,-15.99,;.94,-15.37,;1.96,-16.53,;1.18,-17.85,;1.8,-19.26,;2.41,-20.67,)|
Structure:
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