Reaction Details
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Target
Xaa-Pro dipeptidase
Ligand
BDBM50232524
Substrate
n/a
Meas. Tech.
ChEMBL_461055 (CHEMBL944087)
IC50
>10000±n/a nM
Citation
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More Info.:
Target
Name:
Xaa-Pro dipeptidase
Synonyms:
PEPD | PEPD_HUMAN | PRD
Type:
PROTEIN
Mol. Mass.:
54541.05
Organism:
Homo sapiens (Human)
Description:
ChEMBL_159887
Residue:
493
Sequence:
MAAATGPSFWLGNETLKVPLALFALNRQRLCERLRKNPAVQAGSIVVLQGGEETQRYCTDTGVLFRQESFFHWAFGVTEPGCYGVIDVDTGKSTLFVPRLPASHATWMGKIHSKEHFKEKYAVDDVQYVDEIASVLTSQKPSVLLTLRGVNTDSGSVCREASFDGISKFEVNNTILHPEIVECRVFKTDMELEVLRYTNKISSEAHREVMKAVKVGMKEYELESLFEHYCYSRGGMRHSSYTCICGSGENSAVLHYGHAGAPNDRTIQNGDMCLFDMGGEYYCFASDITCSFPANGKFTADQKAVYEAVLRSSRAVMGAMKPGVWWPDMHRLADRIHLEELAHMGILSGSVDAMVQAHLGAVFMPHGLGHFLGIDVHDVGGYPEGVERIDEPGLRSLRTARHLQPGMVLTVEPGIYFIDHLLDEALADPARASFLNREVLQRFRGFGGVRIEEDVVVTDSGIELLTCVPRTVEEIEACMAGCDKAFTPFSGPK
Inhibitor
Name:
BDBM50232524
Synonyms:
(2R)-4-[8,8-dimethyl-3-(trifluoromethyl)-5,6-dihydro[[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine hydrochloride | CHEMBL536088
Type:
Small organic molecule
Emp. Form.:
C18H19F6N5O
Mol. Mass.:
435.3668
SMILES:
CC1(C)N(CCn2c(nnc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F