Reaction Details Report a problem with these data
Target
Suppressor of tumorigenicity 14 protein
Ligand
BDBM50017902
Substrate
n/a
Meas. Tech.
ChEMBL_1364433 (CHEMBL3294545)
Ki
3.0±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:
BDBM50017902
Synonyms:
CHEMBL3289034
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)|
Structure:
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