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Target
Complement factor B
Ligand
BDBM50314032
Substrate
n/a
Meas. Tech.
ChEMBL_626639 (CHEMBL1112746)
pH
9.5±n/a
IC50
5000±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:
BDBM50314032
Synonyms:
(2S,5S,8S,11S,14S,17S,20S)-17-((1H-imidazol-5-yl)methyl)-20-amino-11-(2-cyclohexylethyl)-2-(3-guanidinopropyl)-21-hydroxy-8,14-diisobutyl-5-methyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosan-1-oic acid | CHEMBL1089592
Type:
Small organic molecule
Emp. Form.:
C40H70N12O9
Mol. Mass.:
863.0588
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:38.40,20.25,4.4,50.51,wD:28.36,8.17,45.47,(13.22,-.48,;13.22,-2,;14.57,-2.78,;11.87,-2.78,;11.87,-4.3,;10.55,-5.06,;9.2,-4.28,;9.2,-2.76,;7.88,-5.04,;7.88,-6.6,;9.21,-7.37,;9.21,-8.91,;7.88,-9.68,;7.88,-11.21,;9.21,-11.99,;10.55,-11.22,;10.55,-9.67,;6.54,-4.26,;5.21,-5.03,;5.21,-6.58,;3.87,-4.24,;3.87,-2.72,;5.21,-1.95,;5.21,-.42,;6.57,-2.72,;2.55,-5,;1.2,-4.23,;1.2,-2.7,;-.12,-4.99,;-.12,-6.54,;1.2,-7.31,;2.67,-6.9,;3.52,-8.19,;2.57,-9.39,;1.13,-8.85,;-1.46,-4.22,;-2.8,-4.99,;-2.8,-6.53,;-4.13,-4.21,;-5.45,-4.98,;-4.13,-2.66,;-2.78,-1.89,;13.22,-5.08,;13.22,-6.64,;14.53,-4.32,;15.88,-5.1,;15.88,-6.66,;17.2,-4.34,;17.2,-2.82,;18.55,-5.12,;19.86,-4.36,;19.86,-2.84,;21.22,-2.05,;21.22,-.54,;22.57,.24,;22.57,1.76,;21.25,2.52,;23.92,2.54,;21.22,-5.14,;22.54,-4.38,;21.22,-6.7,)|
Structure:
Search PDB for entries with ligand similarity: