Reaction Details Report a problem with these data
Target
Mannan-binding lectin serine protease 1
Ligand
BDBM50462088
Substrate
n/a
Meas. Tech.
ChEMBL_1772707 (CHEMBL4229699)
Ki
7.0±n/a nM
Citation
 Iyer, A; Xu, W; Reid, RC; Fairlie, DP Chemical Approaches to Modulating Complement-Mediated Diseases. J Med Chem 61:3253-3276 (2018) [PubMed]  Article 
Target
Name:
Mannan-binding lectin serine protease 1
Synonyms:
3.4.21.- | CRARF | CRARF1 | Complement factor MASP-3 | Complement-activating component of Ra-reactive factor | MASP-1 | MASP1 | MASP1_HUMAN | Mannan-binding lectin serine protease 1 | Mannan-binding lectin serine protease 1 heavy chain | Mannan-binding lectin serine protease 1 light chain | Mannose-binding lectin-associated serine protease 1 | Mannose-binding protein-associated serine protease | PRSS5 | Ra-reactive factor serine protease p100 | RaRF | Serine protease 5
Type:
PROTEIN
Mol. Mass.:
79230.21
Organism:
Homo sapiens
Description:
ChEMBL_118013
Residue:
699
Sequence:
MRWLLLYYALCFSLSKASAHTVELNNMFGQIQSPGYPDSYPSDSEVTWNITVPDGFRIKLYFMHFNLESSYLCEYDYVKVETEDQVLATFCGRETTDTEQTPGQEVVLSPGSFMSITFRSDFSNEERFTGFDAHYMAVDVDECKEREDEELSCDHYCHNYIGGYYCSCRFGYILHTDNRTCRVECSDNLFTQRTGVITSPDFPNPYPKSSECLYTIELEEGFMVNLQFEDIFDIEDHPEVPCPYDYIKIKVGPKVLGPFCGEKAPEPISTQSHSVLILFHSDNSGENRGWRLSYRAAGNECPELQPPVHGKIEPSQAKYFFKDQVLVSCDTGYKVLKDNVEMDTFQIECLKDGTWSNKIPTCKIVDCRAPGELEHGLITFSTRNNLTTYKSEIKYSCQEPYYKMLNNNTGIYTCSAQGVWMNKVLGRSLPTCLPVCGLPKFSRKLMARIFNGRPAQKGTTPWIAMLSHLNGQPFCGGSLLGSSWIVTAAHCLHQSLDPEDPTLRDSDLLSPSDFKIILGKHWRLRSDENEQHLGVKHTTLHPQYDPNTFENDVALVELLESPVLNAFVMPICLPEGPQQEGAMVIVSGWGKQFLQRFPETLMEIEIPIVDHSTCQKAYAPLKKKVTRDMICAGEKEGGKDACAGDSGGPMVTLNRERGQWYLVGTVSWGDDCGKKDRYGVYSYIHHNKDWIQRVTGVRN
  
Inhibitor
Name:
BDBM50462088
Synonyms:
CHEMBL4250967
Type:
Small organic molecule
Emp. Form.:
C154H248N46O51S6
Mol. Mass.:
3752.285
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Structure:
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