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Target
Complement factor B
Ligand
BDBM50314029
Substrate
n/a
Meas. Tech.
ChEMBL_626639 (CHEMBL1112746)
pH
9.5±n/a
IC50
23000±n/a nM
Comments
extracted
Citation
 Ruiz-Gómez, G; Lim, J; Halili, MA; Le, GT; Madala, PK; Abbenante, G; Fairlie, DP Structure-activity relationships for substrate-based inhibitors of human complement factor B. J Med Chem 52:6042-52 (2009) [PubMed]  Article 
Target
Name:
Complement factor B
Synonyms:
BF | BFD | CFAB_HUMAN | CFB
Type:
Enzyme
Mol. Mass.:
85537.97
Organism:
Homo sapiens (Human)
Description:
P00751
Residue:
764
Sequence:
MGSNLSPQLCLMPFILGLLSGGVTTTPWSLARPQGSCSLEGVEIKGGSFRLLQEGQALEYVCPSGFYPYPVQTRTCRSTGSWSTLKTQDQKTVRKAECRAIHCPRPHDFENGEYWPRSPYYNVSDEISFHCYDGYTLRGSANRTCQVNGRWSGQTAICDNGAGYCSNPGIPIGTRKVGSQYRLEDSVTYHCSRGLTLRGSQRRTCQEGGSWSGTEPSCQDSFMYDTPQEVAEAFLSSLTETIEGVDAEDGHGPGEQQKRKIVLDPSGSMNIYLVLDGSDSIGASNFTGAKKCLVNLIEKVASYGVKPRYGLVTYATYPKIWVKVSEADSSNADWVTKQLNEINYEDHKLKSGTNTKKALQAVYSMMSWPDDVPPEGWNRTRHVIILMTDGLHNMGGDPITVIDEIRDLLYIGKDRKNPREDYLDVYVFGVGPLVNQVNINALASKKDNEQHVFKVKDMENLEDVFYQMIDESQSLSLCGMVWEHRKGTDYHKQPWQAKISVIRPSKGHESCMGAVVSEYFVLTAAHCFTVDDKEHSIKVSVGGEKRDLEIEVVLFHPNYNINGKKEAGIPEFYDYDVALIKLKNKLKYGQTIRPICLPCTEGTTRALRLPPTTTCQQQKEELLPAQDIKALFVSEEEKKLTRKEVYIKNGDKKGSCERDAQYAPGYDKVKDISEVVTPRFLCTGGVSPYADPNTCRGDSGGPLIVHKRSRFIQVGVISWGVVDVCKNQKRQKQVPAHARDFHINLFQVLPWLKEKLQDEDLGFL
  
Inhibitor
Name:
BDBM50314029
Synonyms:
(6S,9S,12S,18S,21S,24S)-21-((1H-imidazol-5-yl)methyl)-1-amino-24-benzyl-1-imino-12,18-diisobutyl-9-methyl-8,11,14,17,20,23,26-heptaoxo-2,7,10,13,16,19,22,25-octaazaheptacosane-6-carboxylic acid | CHEMBL1089577
Type:
Small organic molecule
Emp. Form.:
C40H62N12O9
Mol. Mass.:
854.9953
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:30.39,12.16,4.4,50.51,wD:20.27,45.47,(17.43,-1.19,;17.43,-2.72,;18.78,-3.5,;16.08,-3.5,;16.08,-5.02,;14.76,-5.78,;13.41,-5.01,;13.41,-3.48,;12.08,-5.77,;10.73,-4.98,;9.41,-5.74,;9.41,-7.31,;8.05,-4.97,;8.05,-3.44,;9.41,-2.66,;9.41,-1.13,;10.76,-3.44,;6.74,-5.72,;5.38,-4.95,;5.38,-3.42,;4.06,-5.72,;4.06,-7.27,;5.38,-8.03,;6.81,-7.53,;7.76,-8.74,;6.9,-10.02,;5.42,-9.59,;2.71,-4.94,;1.38,-5.71,;1.38,-7.25,;.03,-4.94,;.03,-3.38,;1.38,-2.6,;2.73,-3.4,;4.06,-2.64,;4.07,-1.1,;2.75,-.32,;1.41,-1.08,;-1.3,-5.7,;-2.63,-4.93,;-3.97,-5.69,;-2.63,-3.39,;17.43,-5.81,;17.43,-7.37,;18.75,-5.04,;20.11,-5.82,;20.11,-7.38,;21.43,-5.06,;21.43,-3.53,;22.79,-5.85,;24.11,-5.08,;24.11,-3.55,;25.46,-2.77,;25.46,-1.25,;26.81,-.46,;26.81,1.06,;25.49,1.82,;28.17,1.84,;25.46,-5.86,;26.78,-5.1,;25.46,-7.42,)|
Structure:
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