Ki Summary

Reaction Details

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Target

Mannan-binding lectin serine protease 2

Ligand

BDBM645083

Substrate/Competitor

n/a

Meas. Tech.

Biochemical Human MASP2 Assay

IC50

5.70±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

More Info.:

Get all data from this article, Assay Method

Mannan-binding lectin serine protease 2

Name:

Mannan-binding lectin serine protease 2

Synonyms:

Type:

PROTEIN

Mol. Mass.:

75689.43

Organism:

Homo sapiens

Description:

ChEMBL_117891

Residue:

686

Sequence:

MRLLTLLGLLCGSVATPLGPKWPEPVFGRLASPGFPGEYANDQERRWTLTAPPGYRLRLY
FTHFDLELSHLCEYDFVKLSSGAKVLATLCGQESTDTERAPGKDTFYSLGSSLDITFRSD
YSNEKPFTGFEAFYAAEDIDECQVAPGEAPTCDHHCHNHLGGFYCSCRAGYVLHRNKRTC
SALCSGQVFTQRSGELSSPEYPRPYPKLSSCTYSISLEEGFSVILDFVESFDVETHPETL
CPYDFLKIQTDREEHGPFCGKTLPHRIETKSNTVTITFVTDESGDHTGWKIHYTSTAQPC
PYPMAPPNGHVSPVQAKYILKDSFSIFCETGYELLQGHLPLKSFTAVCQKDGSWDRPMPA
CSIVDCGPPDDLPSGRVEYITGPGVTTYKAVIQYSCEETFYTMKVNDGKYVCEADGFWTS
SKGEKSLPVCEPVCGLSARTTGGRIYGGQKAKPGDFPWQVLILGGTTAAGALLYDNWVLT
AAHAVYEQKHDASALDIRMGTLKRLSPHYTQAWSEAVFIHEGYTHDAGFDNDIALIKLNN
KVVINSNITPICLPRKEAESFMRTDDIGTASGWGLTQRGFLARNLMYVDIPIVDHQKCTA
AYEKPPYPRGSVTANMLCAGLESGGKDSCRGDSGGALVFLDSETERWFVGGIVSWGSMNC
GEAGQYGVYTKVINYIPWIENIISDF

BDBM645083

n/a

Name

BDBM645083

Synonyms:

US20240010684, Ex. No 59

Type

Small organic molecule

Emp. Form.

C74H125N17O16S2

Mol. Mass.

1573.019

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)(C)[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)NCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2 |r,wU:48.50,4.3,2.2,22.24,31.33,37.39,101.106,102.107,92.96,68.71,69.72,wD:61.63,8.12,15.20,54.113,95.98,79.82,(-1.83,-10.97,;-1.06,-9.64,;.48,-9.64,;1.03,-11.08,;1.46,-8.45,;2.79,-8.8,;4.46,-8.89,;4.42,-10.43,;6,-8.89,;5.35,-7.49,;6.49,-6.43,;7.85,-7.19,;7.54,-8.71,;9.08,-8.17,;9.85,-9.51,;10.21,-7.41,;8.83,-6.84,;8.95,-5.35,;10.41,-5.01,;11.18,-6.28,;11.91,-4.83,;13.24,-5.6,;12.14,-3.5,;13.63,-3.9,;14.71,-2.81,;15.11,-1.32,;16.05,-3.58,;16.2,-2.41,;12.18,-2.19,;12.03,-.7,;13.52,-.31,;11.67,.66,;13.01,1.43,;13.01,2.97,;10.95,2.02,;9.65,3.32,;10.6,4.48,;8.34,4.11,;8.55,5.65,;7.34,6.6,;7.56,8.13,;6.34,9.08,;6.56,10.6,;7.98,11.18,;5.34,11.55,;6.57,4.74,;5.03,4.85,;5.08,6.39,;3.33,4.78,;3.22,6.31,;1.74,6.71,;1.61,4.47,;.12,3.71,;-.65,5.05,;-.85,2.76,;-1.76,1.13,;-2.35,-.56,;-2.38,-2.23,;-2.24,-3.9,;-3.57,-3.13,;-3.73,-4.48,;-1.88,-5.26,;-1.3,-6.57,;.01,-7.72,;-.83,-9.01,;-2.55,-6.41,;-1.46,-7.5,;-3.67,-7.18,;-5.16,-7.51,;-4.85,-9.02,;-3.38,-9.5,;-6,-10.04,;-5.68,-11.55,;-6.64,-7.62,;-6.53,-9.15,;-8.18,-7.62,;-7.52,-6.27,;-8.59,-5.22,;-9.92,-5.92,;-9.67,-7.4,;-11.16,-7,;-11.75,-8.42,;-12.49,-6.23,;-13.58,-4.96,;-14.35,-3.63,;-14.75,-2.14,;-14.93,-.6,;-14.93,.94,;-14.71,2.43,;-16.2,2.82,;-14.13,3.91,;-13.05,4.86,;-11.71,5.77,;-11.13,7.26,;-9.65,7.66,;-8.38,6.71,;-8.95,5.08,;-10.44,4.68,;-7.02,6.75,;-6.9,8.29,;-5.53,6.53,;-4.04,6.13,;-3.27,7.38,;-4,8.73,;-1.73,7.33,;-.92,8.64,;-2.71,5.36,;-1.77,6.59,;-1.49,4.18,)|

Structure