Reaction Details Report a problem with these data
Target
Mannan-binding lectin serine protease 2
Ligand
BDBM645070
Substrate
n/a
Meas. Tech.
Biochemical Human MASP2 Assay
IC50
89.0±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 2
Synonyms:
3.4.21.104 | MASP-2 | MASP2 | MASP2_HUMAN | MBL-associated serine protease 2 | Mannan-binding lectin serine protease 2 A chain | Mannan-binding lectin serine protease 2 B chain | Mannose-binding protein-associated serine protease 2
Type:
PROTEIN
Mol. Mass.:
75689.43
Organism:
Homo sapiens
Description:
ChEMBL_117891
Residue:
686
Sequence:
MRLLTLLGLLCGSVATPLGPKWPEPVFGRLASPGFPGEYANDQERRWTLTAPPGYRLRLYFTHFDLELSHLCEYDFVKLSSGAKVLATLCGQESTDTERAPGKDTFYSLGSSLDITFRSDYSNEKPFTGFEAFYAAEDIDECQVAPGEAPTCDHHCHNHLGGFYCSCRAGYVLHRNKRTCSALCSGQVFTQRSGELSSPEYPRPYPKLSSCTYSISLEEGFSVILDFVESFDVETHPETLCPYDFLKIQTDREEHGPFCGKTLPHRIETKSNTVTITFVTDESGDHTGWKIHYTSTAQPCPYPMAPPNGHVSPVQAKYILKDSFSIFCETGYELLQGHLPLKSFTAVCQKDGSWDRPMPACSIVDCGPPDDLPSGRVEYITGPGVTTYKAVIQYSCEETFYTMKVNDGKYVCEADGFWTSSKGEKSLPVCEPVCGLSARTTGGRIYGGQKAKPGDFPWQVLILGGTTAAGALLYDNWVLTAAHAVYEQKHDASALDIRMGTLKRLSPHYTQAWSEAVFIHEGYTHDAGFDNDIALIKLNNKVVINSNITPICLPRKEAESFMRTDDIGTASGWGLTQRGFLARNLMYVDIPIVDHQKCTAAYEKPPYPRGSVTANMLCAGLESGGKDSCRGDSGGALVFLDSETERWFVGGIVSWGSMNCGEAGQYGVYTKVINYIPWIENIISDF
  
Inhibitor
Name:
BDBM645070
Synonyms:
US20240010684, Ex. No 46
Type:
Small organic molecule
Emp. Form.:
C71H118N18O19S2
Mol. Mass.:
1591.936
SMILES:
CC[C@H](C)[C@@H]1NC(=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]2CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2 |r|
Structure:
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