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Target
Complement factor B
Ligand
BDBM50314030
Substrate
n/a
Meas. Tech.
ChEMBL_626639 (CHEMBL1112746)
pH
9.5±n/a
IC50
13000±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:
BDBM50314030
Synonyms:
(6S,9S,12S,18S,21S,24S)-21-((1H-imidazol-5-yl)methyl)-1-amino-24-(4-fluorobenzyl)-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 | CHEMBL1089578
Type:
Small organic molecule
Emp. Form.:
C40H61FN12O9
Mol. Mass.:
872.9857
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](Cc1ccc(F)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:30.40,12.16,4.4,51.52,wD:20.27,46.48,(16.92,-13.83,;16.92,-15.36,;18.27,-16.14,;15.57,-16.14,;15.57,-17.66,;14.25,-18.42,;12.89,-17.65,;12.89,-16.12,;11.57,-18.41,;10.22,-17.62,;8.9,-18.39,;8.9,-19.95,;7.54,-17.61,;7.54,-16.08,;8.9,-15.3,;8.9,-13.77,;10.25,-16.08,;6.22,-18.36,;4.87,-17.59,;4.87,-16.06,;3.54,-18.36,;3.54,-19.91,;4.86,-20.68,;6.3,-20.17,;7.25,-21.39,;6.39,-22.66,;4.91,-22.23,;2.2,-17.58,;.86,-18.35,;.86,-19.89,;-.49,-17.58,;-.49,-16.02,;.87,-15.24,;2.21,-16.04,;3.55,-15.28,;3.56,-13.74,;4.9,-12.98,;2.23,-12.96,;.9,-13.72,;-1.81,-18.34,;-3.14,-17.57,;-4.48,-18.33,;-3.14,-16.03,;16.92,-18.45,;16.92,-20.01,;18.24,-17.69,;19.6,-18.46,;19.6,-20.03,;20.91,-17.7,;20.91,-16.18,;22.27,-18.49,;23.6,-17.72,;23.6,-16.19,;24.95,-15.41,;24.95,-13.89,;26.3,-13.1,;26.3,-11.58,;24.98,-10.82,;27.65,-10.8,;24.95,-18.5,;26.27,-17.74,;24.95,-20.06,)|
Structure:
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