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Target
Complement factor B
Ligand
BDBM50314033
Substrate
n/a
Meas. Tech.
ChEMBL_626639 (CHEMBL1112746)
pH
9.5±n/a
IC50
4000±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:
BDBM50314033
Synonyms:
(6S,9S,12S,15S,18S,21S,24S)-21-((1H-imidazol-5-yl)methyl)-1-amino-24-(hydroxymethyl)-1-imino-12,15,18-triisobutyl-9-methyl-8,11,14,17,20,23,26-heptaoxo-2,7,10,13,16,19,22,25-octaazaheptacosane-6-carboxylic acid | CHEMBL1089584
Type:
Small organic molecule
Emp. Form.:
C38H66N12O10
Mol. Mass.:
851.005
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:34.37,16.20,4.4,49.49,wD:24.31,8.12,44.45,(15.26,-36.8,;15.26,-38.32,;16.61,-39.09,;13.9,-39.09,;13.9,-40.62,;12.59,-41.38,;11.24,-40.59,;11.24,-39.08,;9.92,-41.36,;9.92,-42.92,;11.24,-43.67,;11.24,-45.24,;12.55,-42.92,;8.57,-40.58,;7.25,-41.34,;7.25,-42.9,;5.91,-40.56,;5.91,-39.04,;7.25,-38.26,;7.25,-36.74,;8.6,-39.04,;4.58,-41.32,;3.24,-40.55,;3.24,-39.02,;1.91,-41.31,;1.91,-42.86,;3.24,-43.62,;4.69,-43.18,;5.57,-44.44,;4.65,-45.68,;3.2,-45.17,;.58,-40.53,;-.76,-41.3,;-.76,-42.84,;-2.09,-40.53,;-2.09,-38.98,;-.74,-38.2,;-3.42,-41.3,;-4.75,-40.53,;-6.09,-41.3,;-4.76,-38.99,;15.26,-41.4,;15.26,-42.96,;16.57,-40.63,;17.92,-41.42,;17.92,-42.97,;19.24,-40.66,;19.24,-39.13,;20.59,-41.43,;21.9,-40.67,;21.9,-39.16,;23.25,-38.37,;23.25,-36.85,;24.61,-36.08,;24.61,-34.55,;23.29,-33.8,;25.96,-33.77,;23.25,-41.46,;24.58,-40.7,;23.25,-43.01,)|
Structure:
Search PDB for entries with ligand similarity: