Reaction Details |
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Target | Dipeptidyl peptidase 8 |
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Ligand | BDBM12654 |
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Substrate/Competitor | BDBM11057 |
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Meas. Tech. | DPP Inhibition Assay |
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pH | 7.5±n/a |
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Temperature | 295.15±n/a K |
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Ki | 560±n/a nM |
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Comments | Result is from racemic analogues. |
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Citation | Pei, Z; Li, X; von Geldern, TW; Madar, DJ; Longenecker, K; Yong, H; Lubben, TH; Stewart, KD; Zinker, BA; Backes, BJ; Judd, AS; Mulhern, M; Ballaron, SJ; Stashko, MA; Mika, AK; Beno, DW; Reinhart, GA; Fryer, RM; Preusser, LC; Kempf-Grote, AJ; Sham, HL; Trevillyan, JM Discovery of ((4R,5S)-5-amino-4-(2,4,5- trifluorophenyl)cyclohex-1-enyl)-(3- (trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone (ABT-341), a highly potent, selective, orally efficacious, and safe dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. J Med Chem49:6439-42 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Dipeptidyl peptidase 8 |
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Name: | Dipeptidyl peptidase 8 |
Synonyms: | DPP8 | DPP8_HUMAN | DPRP-1 | DPRP1 | Dipeptidyl peptidase 8 (DPP-8) | Dipeptidyl peptidase 8 (DPP8) | Dipeptidyl peptidase 8/9 | Dipeptidyl peptidase IV-related protein 1 | Dipeptidyl peptidase VIII | Dipeptidyl peptidase VIII (DDP-VIII) | Prolyl dipeptidase DPP8 |
Type: | Enzyme |
Mol. Mass.: | 103342.62 |
Organism: | Homo sapiens (Human) |
Description: | Q6V1X1 |
Residue: | 898 |
Sequence: | MWKRSEQMKIKSGKCNMAAAMETEQLGVEIFETADCEENIESQDRPKLEPFYVERYSWSQ
LKKLLADTRKYHGYMMAKAPHDFMFVKRNDPDGPHSDRIYYLAMSGENRENTLFYSEIPK
TINRAAVLMLSWKPLLDLFQATLDYGMYSREEELLRERKRIGTVGIASYDYHQGSGTFLF
QAGSGIYHVKDGGPQGFTQQPLRPNLVETSCPNIRMDPKLCPADPDWIAFIHSNDIWISN
IVTREERRLTYVHNELANMEEDARSAGVATFVLQEEFDRYSGYWWCPKAETTPSGGKILR
ILYEENDESEVEIIHVTSPMLETRRADSFRYPKTGTANPKVTFKMSEIMIDAEGRIIDVI
DKELIQPFEILFEGVEYIARAGWTPEGKYAWSILLDRSQTRLQIVLISPELFIPVEDDVM
ERQRLIESVPDSVTPLIIYEETTDIWINIHDIFHVFPQSHEEEIEFIFASECKTGFRHLY
KITSILKESKYKRSSGGLPAPSDFKCPIKEEIAITSGEWEVLGRHGSNIQVDEVRRLVYF
EGTKDSPLEHHLYVVSYVNPGEVTRLTDRGYSHSCCISQHCDFFISKYSNQKNPHCVSLY
KLSSPEDDPTCKTKEFWATILDSAGPLPDYTPPEIFSFESTTGFTLYGMLYKPHDLQPGK
KYPTVLFIYGGPQVQLVNNRFKGVKYFRLNTLASLGYVVVVIDNRGSCHRGLKFEGAFKY
KMGQIEIDDQVEGLQYLASRYDFIDLDRVGIHGWSYGGYLSLMALMQRSDIFRVAIAGAP
VTLWIFYDTGYTERYMGHPDQNEQGYYLGSVAMQAEKFPSEPNRLLLLHGFLDENVHFAH
TSILLSFLVRAGKPYDLQIYPQERHSIRVPESGEHYELHLLHYLQENLGSRIAALKVI
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BDBM12654 |
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BDBM11057 |
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Name | BDBM12654 |
Synonyms: | (1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate | 3-{[trans-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex-1-en-1-yl]methoxy}benzamide | ABT-341 analogue 17 |
Type | Small organic molecule |
Emp. Form. | C20H20F3N2O2 |
Mol. Mass. | 377.3797 |
SMILES | NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10| |
Structure |
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