Reaction Details Report a problem with these data
Target
A disintegrin and metalloproteinase with thrombospondin motifs 1
Ligand
BDBM26806
Substrate
n/a
Meas. Tech.
ChEMBL_492651 (CHEMBL953080)
Ki
>1000±n/a nM
Citation
 Georgiadis, D; Yiotakis, A Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge. Bioorg Med Chem 16:8781-94 (2008) [PubMed]  Article 
Target
Name:
A disintegrin and metalloproteinase with thrombospondin motifs 1
Synonyms:
ADAMTS1 | ATS1_HUMAN | KIAA1346 | METH1
Type:
PROTEIN
Mol. Mass.:
105362.16
Organism:
Homo sapiens (Human)
Description:
ChEMBL_860059
Residue:
967
Sequence:
MQRAVPEGFGRRKLGSDMGNAERAPGSRSFGPVPTLLLLAAALLAVSDALGRPSEEDEELVVPELERAPGHGTTRLRLHAFDQQLDLELRPDSSFLAPGFTLQNVGRKSGSETPLPETDLAHCFYSGTVNGDPSSAAALSLCEGVRGAFYLLGEAYFIQPLPAASERLATAAPGEKPPAPLQFHLLRRNRQGDVGGTCGVVDDEPRPTGKAETEDEDEGTEGEDEGAQWSPQDPALQGVGQPTGTGSIRKKRFVSSHRYVETMLVADQSMAEFHGSGLKHYLLTLFSVAARLYKHPSIRNSVSLVVVKILVIHDEQKGPEVTSNAALTLRNFCNWQKQHNPPSDRDAEHYDTAILFTRQDLCGSQTCDTLGMADVGTVCDPSRSCSVIEDDGLQAAFTTAHELGHVFNMPHDDAKQCASLNGVNQDSHMMASMLSNLDHSQPWSPCSAYMITSFLDNGHGECLMDKPQNPIQLPGDLPGTSYDANRQCQFTFGEDSKHCPDAASTCSTLWCTGTSGGVLVCQTKHFPWADGTSCGEGKWCINGKCVNKTDRKHFDTPFHGSWGMWGPWGDCSRTCGGGVQYTMRECDNPVPKNGGKYCEGKRVRYRSCNLEDCPDNNGKTFREEQCEAHNEFSKASFGSGPAVEWIPKYAGVSPKDRCKLICQAKGIGYFFVLQPKVVDGTPCSPDSTSVCVQGQCVKAGCDRIIDSKKKFDKCGVCGGNGSTCKKISGSVTSAKPGYHDIITIPTGATNIEVKQRNQRGSRNNGSFLAIKAADGTYILNGDYTLSTLEQDIMYKGVVLRYSGSSAALERIRSFSPLKEPLTIQVLTVGNALRPKIKYTYFVKKKKESFNAIPTFSAWVIEEWGECSKSCELGWQRRLVECRDINGQPASECAKEVKPASTRPCADHPCPQWQLGEWSSCSKTCGKGYKKRSLKCLSHDGGVLSHESCDPLKKPKHFIDFCTMAECS
  
Inhibitor
Name:
BDBM26806
Synonyms:
(3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)oxane-3,4-diamido | CHEMBL253275 | benzimidazole analog., 32
Type:
Small organic molecule
Emp. Form.:
C22H21F3N4O4
Mol. Mass.:
462.4217
SMILES:
ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: