Reaction Details Report a problem with these data
Target
Complement C1s subcomponent
Ligand
BDBM50147057
Substrate
n/a
Meas. Tech.
ChEBML_48032
Ki
12500±n/a nM
Citation
 Subasinghe, NL; Ali, F; Illig, CR; Jonathan Rudolph, M; Klein, S; Khalil, E; Soll, RM; Bone, RF; Spurlino, JC; DesJarlais, RL; Crysler, CS; Cummings, MD; Morris, PE; Kilpatrick, JM; Sudhakara Babu, Y A novel series of potent and selective small molecule inhibitors of the complement component C1s. Bioorg Med Chem Lett 14:3043-7 (2004) [PubMed]  Article 
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:
Homo sapiens (Human)
Description:
P09871
Residue:
688
Sequence:
MWCIVLFSLLAWVYAEPTMYGEILSPNYPQAYPSEVEKSWDIEVPEGYGIHLYFTHLDIELSENCAYDSVQIISGDTEEGRLCGQRSSNNPHSPIVEEFQVPYNKLQVIFKSDFSNEERFTGFAAYYVATDINECTDFVDVPCSHFCNNFIGGYFCSCPPEYFLHDDMKNCGVNCSGDVFTALIGEIASPNYPKPYPENSRCEYQIRLEKGFQVVVTLRREDFDVEAADSAGNCLDSLVFVAGDRQFGPYCGHGFPGPLNIETKSNALDIIFQTDLTGQKKGWKLRYHGDPMPCPKEDTPNSVWEPAKAKYVFRDVVQITCLDGFEVVEGRVGATSFYSTCQSNGKWSNSKLKCQPVDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEKQRIIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWKLLEVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKCKEVKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQENSTPRED
  
Inhibitor
Name:
BDBM50147057
Synonyms:
4-(4-Phenyl-thiazol-2-yl)-5-trifluoromethyl-thiophene-2-carboxamidine | CHEMBL103840
Type:
Small organic molecule
Emp. Form.:
C15H10F3N3S2
Mol. Mass.:
353.385
SMILES:
NC(=N)c1cc(-c2nc(cs2)-c2ccccc2)c(s1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: