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Target
Complement factor B
Ligand
BDBM50314034
Substrate
n/a
Meas. Tech.
ChEMBL_626639 (CHEMBL1112746)
pH
9.5±n/a
IC50
19000±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:
BDBM50314034
Synonyms:
(6S,9S,12S,18S,21S,24S)-21-((1H-imidazol-5-yl)methyl)-1-amino-24-(hydroxymethyl)-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 | CHEMBL1089574
Type:
Small organic molecule
Emp. Form.:
C34H58N12O10
Mol. Mass.:
794.8987
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](CO)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:30.33,12.16,4.4,45.45,wD:20.27,40.41,(10.8,-11.13,;10.8,-12.64,;12.15,-13.43,;9.44,-13.43,;9.44,-14.95,;8.13,-15.7,;6.77,-14.93,;6.77,-13.41,;5.46,-15.69,;4.11,-14.91,;2.79,-15.67,;2.79,-17.23,;1.44,-14.89,;1.44,-13.37,;2.79,-12.59,;2.79,-11.06,;4.14,-13.37,;.12,-15.65,;-1.23,-14.88,;-1.23,-13.35,;-2.56,-15.64,;-2.56,-17.19,;-1.23,-17.96,;.24,-17.56,;1.08,-18.85,;.12,-20.05,;-1.32,-19.51,;-3.89,-14.87,;-5.23,-15.63,;-5.23,-17.17,;-6.56,-14.86,;-6.56,-13.3,;-5.21,-12.53,;-7.89,-15.63,;-9.22,-14.86,;-10.56,-15.63,;-9.23,-13.32,;10.8,-15.73,;10.8,-17.29,;12.11,-14.97,;13.47,-15.75,;13.47,-17.3,;14.78,-14.99,;14.78,-13.46,;16.14,-15.76,;17.45,-15.01,;17.45,-13.49,;18.8,-12.7,;18.8,-11.18,;20.15,-10.41,;20.15,-8.88,;18.84,-8.12,;21.51,-8.1,;18.8,-15.78,;20.12,-15.03,;18.8,-17.34,)|
Structure:
Search PDB for entries with ligand similarity: