Reaction Details Report a problem with these data
Target
Mannan-binding lectin serine protease 1
Ligand
BDBM645089
Substrate
n/a
Meas. Tech.
Biochemical Human MASP1 Assay
IC50
49.0±n/a nM
Citation
 BIERER, D; FLAMME, I; ZUBOV, D; NEUBAUER, T; TERSTEEGEN, A; BAUMANN, L; JUHL, C; GLATZ, M; DREHER, J; HOLTON, S; XIONG, J; XU, J MASP INHIBITORY COMPOUNDS AND USES THEREOF US Patent  US20240010684 Publication Date 1/11/2024 
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:
BDBM645089
Synonyms:
US20240010684, Ex. No 65
Type:
Small organic molecule
Emp. Form.:
C63H111N17O15S2
Mol. Mass.:
1410.79
SMILES:
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC1=O)[C@@H](C)CC)C(C)(C)SC)[C@@H](C)CC |r|
Structure:
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