Ki Summary

Reaction Details

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Target

Complement C3

Ligand

BDBM50370743

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_365467 (CHEMBL869093)

IC50

205±n/a nM

Citation

Katragadda, M; Magotti, P; Sfyroera, G; Lambris, 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

BDBM50370743

n/a

Name

BDBM50370743

Synonyms:

CHEMBL1791380

Type

Small organic molecule

Emp. Form.

C71H103N21O18S2

Mol. Mass.

1602.837

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1cn(C)c2ccccc12)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,(3.06,-12.24,;3.03,-10.77,;1.66,-10.05,;.32,-10.8,;1.62,-8.56,;2.96,-7.8,;4.33,-8.52,;4.36,-10,;5.68,-7.76,;5.65,-6.27,;4.27,-5.56,;7.04,-8.47,;8.38,-7.7,;8.36,-6.23,;9.76,-8.41,;11.1,-7.65,;12.46,-8.35,;12.5,-9.85,;13.81,-7.59,;13.78,-6.12,;12.41,-5.4,;10.98,-6.03,;9.86,-4.97,;8.34,-5.15,;10.67,-3.66,;10.16,-2.25,;11.18,-1.13,;12.72,-1.42,;13.24,-2.81,;12.21,-3.93,;15.18,-8.3,;16.52,-7.54,;16.5,-6.07,;17.89,-8.26,;17.93,-9.74,;16.58,-10.51,;16.61,-11.98,;17.98,-12.7,;15.27,-12.76,;19.23,-7.5,;20.59,-8.22,;20.63,-9.7,;21.94,-7.46,;21.92,-5.98,;20.54,-5.25,;19.18,-6.01,;20.5,-3.78,;23.31,-8.16,;24.66,-7.41,;24.63,-5.93,;26.03,-8.12,;26.06,-9.61,;24.72,-10.37,;23.27,-9.79,;22.2,-10.91,;23.06,-12.19,;22.6,-13.6,;23.67,-14.68,;25.2,-14.35,;25.66,-12.93,;24.59,-11.85,;27.36,-7.35,;28.73,-8.06,;28.75,-9.55,;30.06,-7.3,;31.43,-8.01,;32.77,-7.24,;32.73,-5.77,;34.13,-7.97,;34.17,-9.44,;35.47,-7.2,;36.83,-7.92,;36.85,-9.39,;38.18,-7.14,;38.14,-5.67,;36.77,-4.95,;35.36,-5.58,;34.27,-4.51,;35.03,-3.21,;36.56,-3.43,;39.55,-7.85,;40.9,-7.1,;40.86,-5.63,;42.26,-7.81,;42.3,-9.3,;40.95,-10.07,;40.97,-11.54,;39.62,-12.28,;39.67,-13.82,;38.31,-14.57,;41.05,-14.54,;43.59,-7.04,;44.96,-7.75,;44.99,-9.24,;46.31,-6.99,;46.28,-5.51,;44.9,-4.8,;47.68,-7.69,;49.03,-6.95,;48.99,-5.47,;50.41,-7.66,;51.72,-6.89,;50.45,-9.14,;51.81,-9.86,;49.08,-9.9,;9.78,-9.9,;8.43,-10.67,;11.15,-10.62,;.28,-7.85,;.24,-6.38,;-1.06,-8.6,;-2.43,-7.89,)|

Structure