Reaction Details Report a problem with these data
Target
Kallikrein-7 [37-253,Y180R]
Ligand
BDBM171272
Substrate
n/a
Meas. Tech.
Human KLK7 Fluorescence-Lifetime Assay
pH
5.6±n/a
Temperature
298.15±n/a K
IC50
>1.00e+5±n/a nM
Comments
extracted
Citation
Maibaum, J; Liao, SM; Vulpetti, A; Ostermann, N; Randl, S; Rüdisser, S; Lorthiois, E; Erbel, P; Kinzel, B; Kolb, FA; Barbieri, S; Wagner, J; Durand, C; Fettis, K; Dussauge, S; Hughes, N; Delgado, O; Hommel, U; Gould, T; Mac Sweeney, A; Gerhartz, B; Cumin, F; Flohr, S; Schubart, A; Jaffee, B; Harrison, R; Risitano, AM; Eder, J; Anderson, K Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat Chem Biol 12:1105-1110 (2016) [PubMed] Article
More Info.:
Target
Name:
Kallikrein-7 [37-253,Y180R]
Synonyms:
KLK7 | KLK7_HUMAN | Kalligrein-7 Y180R (KLK7) | PRSS6 | SCCE
Type:
Protein
Mol. Mass.:
23785.70
Organism:
Homo sapiens (Human)
Description:
P49862 (37-253 aa with Y180R mutation)
Residue:
217
Sequence:
ARGSHPWQVALLSGNQLHCGGVLVNERWVLTAAHCKMNEYTVHLGSDTLGDRRAQRIKASKSFRHPGYSTQTHVNDLMLVKLNSQARLSSMVKKVRLPSRCEPPGTTCTVSGWGTTTSPDVTFPSDLMCVDVKLISPQDCTKVRKDLLENSMLCAGIPDSKKNACNGDSGGPLVCRGTLQGLVSWGTFPCGQPNDPGVYTQVCKFTKWINDTMKKHR
Inhibitor
Name:
BDBM171272
Synonyms:
1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluorophenyl)ethyl)carbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl)-2-oxoethyl)-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (6) | US9085555, 702
Type:
Small organic molecule
Emp. Form.:
C23H22ClFN6O3
Mol. Mass.:
484.911
SMILES:
C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F |r|