Reaction Details Report a problem with these data
Target
Complement C1s subcomponent
Ligand
BDBM50233676
Substrate
n/a
Meas. Tech.
ChEMBL_462407 (CHEMBL927223)
Ki
150±n/a nM
Citation
 Travins, JM; Ali, F; Huang, H; Ballentine, SK; Khalil, E; Hufnagel, HR; Pan, W; Gushue, J; Leonard, K; Bone, RF; Soll, RM; DesJarlais, RL; Crysler, CS; Ninan, N; Kirkpatrick, J; Cummings, MD; Huebert, N; Molloy, CJ; Gaul, M; Tomczuk, BE; Subasinghe, NL Biphenylsulfonyl-thiophene-carboxamidine inhibitors of the complement component C1s. Bioorg Med Chem Lett 18:1603-6 (2008) [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:
BDBM50233676
Synonyms:
3'-(5-carbamimidoyl-2-methylsulfanyl-thiophene-3-sulfonyl)-6-methyl-biphenyl-2-carboxylic acid | CHEMBL400375
Type:
Small organic molecule
Emp. Form.:
C20H18N2O4S3
Mol. Mass.:
446.563
SMILES:
CSc1sc(cc1S(=O)(=O)c1cccc(c1)-c1c(C)cccc1C(O)=O)C(N)=N
Structure:
Search PDB for entries with ligand similarity: