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Target
Biotinidase
Ligand
BDBM50585533
Substrate
n/a
Meas. Tech.
ChEMBL_2162821 (CHEMBL5047682)
IC50
12700±n/a nM
Citation
 Casimiro-Garcia, A; Allais, C; Brennan, A; Choi, C; Dower, G; Farley, KA; Fleming, M; Flick, A; Frisbie, RK; Hall, J; Hepworth, D; Jones, H; Knafels, JD; Kortum, S; Lovering, FE; Mathias, JP; Mohan, S; Morgan, PM; Parng, C; Parris, K; Pullen, N; Schlerman, F; Stansfield, J; Strohbach, JW; Vajdos, FF; Vincent, F; Wang, H; Wang, X; Webster, R; Wright, SW Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J Med Chem 65:757-784 (2022) [PubMed]  Article 
Target
Name:
Biotinidase
Synonyms:
3.5.1.12 | BTD | BTD_HUMAN | Biotinase
Type:
PROTEIN
Mol. Mass.:
61128.20
Organism:
Homo sapiens
Description:
ChEMBL_120314
Residue:
543
Sequence:
MAHAHIQGGRRAKSRFVVCIMSGARSKLALFLCGCYVVALGAHTGEESVADHHEAEYYVAAVYEHPSILSLNPLALISRQEALELMNQNLDIYEQQVMTAAQKDVQIIVFPEDGIHGFNFTRTSIYPFLDFMPSPQVVRWNPCLEPHRFNDTEVLQRLSCMAIRGDMFLVANLGTKEPCHSSDPRCPKDGRYQFNTNVVFSNNGTLVDRYRKHNLYFEAAFDVPLKVDLITFDTPFAGRFGIFTCFDILFFDPAIRVLRDYKVKHVVYPTAWMNQLPLLAAIEIQKAFAVAFGINVLAANVHHPVLGMTGSGIHTPLESFWYHDMENPKSHLIIAQVAKNPVGLIGAENATGETDPSHSKFLKILSGDPYCEKDAQEVHCDEATKWNVNAPPTFHSEMMYDNFTLVPVWGKEGYLHVCSNGLCCYLLYERPTLSKELYALGVFDGLHTVHGTYYIQVCALVRCGGLGFDTCGQEITEATGIFEFHLWGNFSTSYIFPLFLTSGMTLEVPDQLGWENDHYFLRKSRLSSGLVTAALYGRLYERD
  
Inhibitor
Name:
BDBM50585533
Synonyms:
CHEMBL5094835
Type:
Small organic molecule
Emp. Form.:
C18H19N7O
Mol. Mass.:
349.3898
SMILES:
O=C(N1CCC[C@H](C1)C#N)c1cnc(NC2(CC2)c2cncnc2)nc1 |r|
Structure:
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