Reaction Details Report a problem with these data
Target
Suppressor of tumorigenicity 14 protein
Ligand
BDBM50017943
Substrate
n/a
Meas. Tech.
ChEMBL_1364433 (CHEMBL3294545)
Ki
23±n/a nM
Citation
 Goswami, R; Mukherjee, S; Ghadiyaram, C; Wohlfahrt, G; Sistla, RK; Nagaraj, J; Satyam, LK; Subbarao, K; Palakurthy, RK; Gopinath, S; Krishnamurthy, NR; Ikonen, T; Moilanen, A; Subramanya, HS; Kallio, P; Ramachandra, M Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg Med Chem 22:3187-203 (2014) [PubMed]  Article 
Target
Name:
Suppressor of tumorigenicity 14 protein
Synonyms:
Epithin | Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein | MT-SP1 | Membrane-type serine protease 1 | PRSS14 | Prostamin | SNC19 | ST14 | ST14_HUMAN | Serine protease TADG-15 | Suppressor of tumorigenicity 14 protein | Suppressor of tumorigenicity protein 14 | TADG15
Type:
Single-pass type II membrane protein
Mol. Mass.:
94769.23
Organism:
Homo sapiens (Human)
Description:
Q9Y5Y6
Residue:
855
Sequence:
MGSDRARKGGGGPKDFGAGLKYNSRHEKVNGLEEGVEFLPVNNVKKVEKHGPGRWVVLAAVLIGLLLVLLGIGFLVWHLQYRDVRVQKVFNGYMRITNENFVDAYENSNSTEFVSLASKVKDALKLLYSGVPFLGPYHKESAVTAFSEGSVIAYYWSEFSIPQHLVEEAERVMAEERVVMLPPRARSLKSFVVTSVVAFPTDSKTVQRTQDNSCSFGLHARGVELMRFTTPGFPDSPYPAHARCQWALRGDADSVLSLTFRSFDLASCDERGSDLVTVYNTLSPMEPHALVQLCGTYPPSYNLTFHSSQNVLLITLITNTERRHPGFEATFFQLPRMSSCGGRLRKAQGTFNSPYYPGHYPPNIDCTWNIEVPNNQHVKVRFKFFYLLEPGVPAGTCPKDYVEINGEKYCGERSQFVVTSNSNKITVRFHSDQSYTDTGFLAEYLSYDSSDPCPGQFTCRTGRCIRKELRCDGWADCTDHSDELNCSCDAGHQFTCKNKFCKPLFWVCDSVNDCGDNSDEQGCSCPAQTFRCSNGKCLSKSQQCNGKDDCGDGSDEASCPKVNVVTCTKHTYRCLNGLCLSKGNPECDGKEDCSDGSDEKDCDCGLRSFTRQARVVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPICLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV
  
Inhibitor
Name:
BDBM50017943
Synonyms:
CHEMBL3289300
Type:
Small organic molecule
Emp. Form.:
C29H34N6O3
Mol. Mass.:
514.6187
SMILES:
N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(OCc2ccc(cc2)C(N)=N)cc(OCc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(-.89,-7.94,;.65,-7.94,;1.42,-9.27,;2.96,-9.27,;3.73,-7.94,;2.96,-6.61,;1.42,-6.61,;5.27,-7.94,;6.04,-6.61,;5.27,-5.27,;7.58,-6.61,;8.35,-7.94,;9.89,-7.94,;10.66,-9.27,;12.2,-9.27,;12.97,-10.61,;14.51,-10.61,;15.28,-11.94,;14.51,-13.27,;12.97,-13.27,;12.2,-11.94,;15.28,-14.61,;14.51,-15.94,;16.82,-14.61,;10.66,-6.61,;9.89,-5.27,;10.66,-3.94,;12.2,-3.94,;12.97,-2.6,;12.2,-1.27,;12.97,.06,;14.51,.06,;15.28,-1.27,;14.51,-2.6,;15.28,1.4,;16.82,1.4,;14.51,2.73,;8.35,-5.27,)|
Structure:
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