Reaction Details Report a problem with these data
Target
Complement C1s subcomponent
Ligand
BDBM50147055
Substrate
n/a
Meas. Tech.
ChEBML_48032
Ki
1500±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
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:
Homo sapiens (Human)
Description:
P09871
Residue:
688
Sequence:
MWCIVLFSLLAWVYAEPTMYGEILSPNYPQAYPSEVEKSWDIEVPEGYGIHLYFTHLDIELSENCAYDSVQIISGDTEEGRLCGQRSSNNPHSPIVEEFQVPYNKLQVIFKSDFSNEERFTGFAAYYVATDINECTDFVDVPCSHFCNNFIGGYFCSCPPEYFLHDDMKNCGVNCSGDVFTALIGEIASPNYPKPYPENSRCEYQIRLEKGFQVVVTLRREDFDVEAADSAGNCLDSLVFVAGDRQFGPYCGHGFPGPLNIETKSNALDIIFQTDLTGQKKGWKLRYHGDPMPCPKEDTPNSVWEPAKAKYVFRDVVQITCLDGFEVVEGRVGATSFYSTCQSNGKWSNSKLKCQPVDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEKQRIIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWKLLEVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKCKEVKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQENSTPRED
Inhibitor
Name:
BDBM50147055
Synonyms:
4-{4-[5-(3-Methyl-butoxy)-1-phenyl-1H-pyrazol-4-yl]-thiazol-2-yl}-5-methylsulfanyl-thiophene-2-carboxamidine | CHEMBL101698
Type:
Small organic molecule
Emp. Form.:
C23H25N5OS3
Mol. Mass.:
483.673
SMILES:
CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCCC(C)C)-c1ccccc1)C(N)=N