Reaction Details Report a problem with these data
Target
Complement C1s subcomponent
Ligand
BDBM50182170
Substrate
n/a
Meas. Tech.
ChEBML_347235
Ki
30±n/a nM
Citation
Subasinghe, NL; Travins, JM; Ali, F; Huang, H; Ballentine, SK; Marugán, JJ; Khalil, E; Hufnagel, HR; Bone, RF; DesJarlais, RL; Crysler, CS; Ninan, N; Cummings, MD; Molloy, CJ; Tomczuk, BE A novel series of arylsulfonylthiophene-2-carboxamidine inhibitors of the complement component C1s. Bioorg Med Chem Lett 16:2200-4 (2006) [PubMed] Article
More Info.:
Target
Name:
Complement C1s subcomponent
Synonyms:
C1 esterase | C1S | C1S_HUMAN | Complement C1s | Complement C1s subcomponent | Complement C1s subcomponent heavy chain | Complement C1s subcomponent light chain | Complement component 1 subcomponent s | Trypsin | complement component 1, s subcomponent
Type:
Protein
Mol. Mass.:
76657.91
Organism:
Human
Description:
P09871
Residue:
688
Sequence:
MWCIVLFSLLAWVYAEPTMYGEILSPNYPQAYPSEVEKSWDIEVPEGYGIHLYFTHLDIELSENCAYDSVQIISGDTEEGRLCGQRSSNNPHSPIVEEFQVPYNKLQVIFKSDFSNEERFTGFAAYYVATDINECTDFVDVPCSHFCNNFIGGYFCSCPPEYFLHDDMKNCGVNCSGDVFTALIGEIASPNYPKPYPENSRCEYQIRLEKGFQVVVTLRREDFDVEAADSAGNCLDSLVFVAGDRQFGPYCGHGFPGPLNIETKSNALDIIFQTDLTGQKKGWKLRYHGDPMPCPKEDTPNSVWEPAKAKYVFRDVVQITCLDGFEVVEGRVGATSFYSTCQSNGKWSNSKLKCQPVDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEKQRIIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWKLLEVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKCKEVKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQENSTPRED
Inhibitor
Name:
BDBM50182170
Synonyms:
4-[7-bromo-1-(2-fluoro-5-nitro-benzyl)-1H-benzoimidazole-5-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine | CHEMBL377281
Type:
Small organic molecule
Emp. Form.:
C20H15BrFN5O4S3
Mol. Mass.:
584.462
SMILES:
CSc1sc(cc1S(=O)(=O)c1cc(Br)c2n(Cc3cc(ccc3F)[N+]([O-])=O)cnc2c1)C(N)=N