Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetComplement C3
LigandBDBM50370744
Substrate/Competitorn/a
Meas. Tech.ChEMBL_365467 (CHEMBL869093)
IC50 870±n/a nM
Citation Katragadda, MMagotti, PSfyroera, GLambris, JD Hydrophobic effect and hydrogen bonds account for the improved activity of a complement inhibitor, compstatin. J Med Chem49:4616-22 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Complement C3
Name:Complement C3
Synonyms:C3 | CO3_HUMAN | CPAMD1
Type:Enzyme
Mol. Mass.:187142.34
Organism:Homo sapiens (Human)
Description:P01024
Residue:1663
Sequence:
MGPTSGPSLLLLLLTHLPLALGSPMYSIITPNILRLESEETMVLEAHDAQGDVPVTVTVH
DFPGKKLVLSSEKTVLTPATNHMGNVTFTIPANREFKSEKGRNKFVTVQATFGTQVVEKV
VLVSLQSGYLFIQTDKTIYTPGSTVLYRIFTVNHKLLPVGRTVMVNIENPEGIPVKQDSL
SSQNQLGVLPLSWDIPELVNMGQWKIRAYYENSPQQVFSTEFEVKEYVLPSFEVIVEPTE
KFYYIYNEKGLEVTITARFLYGKKVEGTAFVIFGIQDGEQRISLPESLKRIPIEDGSGEV
VLSRKVLLDGVQNPRAEDLVGKSLYVSATVILHSGSDMVQAERSGIPIVTSPYQIHFTKT
PKYFKPGMPFDLMVFVTNPDGSPAYRVPVAVQGEDTVQSLTQGDGVAKLSINTHPSQKPL
SITVRTKKQELSEAEQATRTMQALPYSTVGNSNNYLHLSVLRTELRPGETLNVNFLLRMD
RAHEAKIRYYTYLIMNKGRLLKAGRQVREPGQDLVVLPLSITTDFIPSFRLVAYYTLIGA
SGQREVVADSVWVDVKDSCVGSLVVKSGQSEDRQPVPGQQMTLKIEGDHGARVVLVAVDK
GVFVLNKKNKLTQSKIWDVVEKADIGCTPGSGKDYAGVFSDAGLTFTSSSGQQTAQRAEL
QCPQPAARRRRSVQLTEKRMDKVGKYPKELRKCCEDGMRENPMRFSCQRRTRFISLGEAC
KKVFLDCCNYITELRRQHARASHLGLARSNLDEDIIAEENIVSRSEFPESWLWNVEDLKE
PPKNGISTKLMNIFLKDSITTWEILAVSMSDKKGICVADPFEVTVMQDFFIDLRLPYSVV
RNEQVEIRAVLYNYRQNQELKVRVELLHNPAFCSLATTKRRHQQTVTIPPKSSLSVPYVI
VPLKTGLQEVEVKAAVYHHFISDGVRKSLKVVPEGIRMNKTVAVRTLDPERLGREGVQKE
DIPPADLSDQVPDTESETRILLQGTPVAQMTEDAVDAERLKHLIVTPSGCGEQNMIGMTP
TVIAVHYLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTA
YVVKVFSLAVNLIAIDSQVLCGAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKD
MALTAFVLISLQEAKDICEEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMG
RLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQR
YYGGGYGSTQATFMVFQALAQYQKDAPDHQELNLDVSLQLPSRSSKITHRIHWESASLLR
SEETKENEGFTVTAEGKGQGTLSVVTMYHAKAKDQLTCNKFDLKVTIKPAPETEKRPQDA
KNTMILEICTRYRGDQDATMSILDISMMTGFAPDTDDLKQLANGVDRYISKYELDKAFSD
RNTLIIYLDKVSHSEDDCLAFKVHQYFNVELIQPGAVKVYAYYNLEESCTRFYHPEKEDG
KLNKLCRDELCRCAEENCFIQKSDDKVTLEERLDKACEPGVDYVYKTRLVKVQLSNDFDE
YIMAIEQTIKSGSDEVQVGQQRTFISPIKCREALKLEEKKHYLMWGLSSDFWGEKPNLSY
IIGKDTWVEHWPEEDECQDEENQKQCQDLGAFTESMVVFGCPN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50370744
n/a
NameBDBM50370744
Synonyms:CHEMBL1791379
TypeSmall organic molecule
Emp. Form.C71H103N21O18S2
Mol. Mass.1602.837
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccc(C)cc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)OC |wU:83.95,33.40,102.108,14.14,4.4,68.72,100.105,50.64,wD:94.101,42.48,73.84,18.31,8.10,2.2,(3.05,-12.69,;3.02,-11.22,;1.66,-10.5,;.31,-11.26,;1.63,-8.99,;2.96,-8.23,;4.33,-8.94,;4.35,-10.43,;5.68,-8.18,;5.65,-6.69,;4.26,-5.96,;7.05,-8.89,;8.38,-8.12,;8.35,-6.63,;9.75,-8.85,;11.09,-8.08,;12.45,-8.79,;12.47,-10.27,;13.8,-8.02,;13.76,-6.53,;12.39,-5.81,;10.96,-6.45,;9.86,-5.37,;10.65,-4.05,;10.13,-2.64,;11.16,-1.52,;12.7,-1.81,;13.74,-.69,;13.22,-3.2,;12.19,-4.34,;15.17,-8.72,;16.51,-7.97,;16.48,-6.49,;17.88,-8.69,;17.91,-10.18,;16.57,-10.95,;16.6,-12.44,;17.97,-13.16,;15.25,-13.2,;19.21,-7.92,;20.58,-8.63,;20.6,-10.13,;21.93,-7.87,;21.9,-6.38,;20.51,-5.67,;19.16,-6.42,;20.49,-4.18,;23.3,-8.57,;24.65,-7.82,;24.61,-6.34,;26.02,-8.53,;26.04,-10.04,;24.7,-10.8,;23.25,-10.22,;22.19,-11.34,;23.05,-12.62,;22.59,-14.05,;23.66,-15.12,;25.19,-14.8,;25.65,-13.36,;24.58,-12.28,;27.35,-7.76,;28.72,-8.48,;28.74,-9.97,;30.06,-7.7,;31.42,-8.42,;32.75,-7.66,;32.72,-6.17,;34.12,-8.37,;34.14,-9.87,;35.46,-7.61,;36.82,-8.33,;36.85,-9.82,;38.17,-7.55,;38.14,-6.08,;36.76,-5.35,;35.35,-5.98,;34.27,-4.9,;35.03,-3.6,;36.55,-3.82,;39.54,-8.26,;40.89,-7.52,;40.87,-6.03,;42.27,-8.23,;42.29,-9.72,;40.96,-10.48,;40.98,-11.98,;39.63,-12.72,;39.68,-14.26,;38.32,-15.01,;41.06,-14.99,;43.6,-7.44,;44.95,-8.17,;44.99,-9.65,;46.3,-7.4,;46.28,-5.91,;44.89,-5.19,;47.67,-8.1,;49.02,-7.36,;48.98,-5.88,;50.41,-8.08,;51.71,-7.3,;50.44,-9.57,;51.8,-10.28,;49.07,-10.32,;9.79,-10.34,;8.44,-11.09,;11.16,-11.06,;.27,-8.28,;.24,-6.79,;-1.07,-9.05,;-2.43,-8.32,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: