Ki Summary

Reaction Details

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Target

Complement C3

Ligand

BDBM50191374

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_365467 (CHEMBL869093)

IC50

446±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

BDBM50191374

n/a

Name

BDBM50191374

Synonyms:

Ac-ICVWQD(5fW)GAHRCT-NH2 | CHEMBL219860

Type

Small organic molecule

Emp. Form.

C71H100FN21O19S2

Mol. Mass.

1634.811

SMILES

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |wU:75.79,4.4,39.40,18.17,90.94,56.57,107.111,108.114,wD:2.2,80.83,48.49,25.24,12.11,101.105,(-8.62,2.79,;-8.6,1.25,;-7.27,.5,;-5.94,1.28,;-7.26,-1.04,;-8.58,-1.82,;-9.93,-1.08,;-11.26,-1.86,;-9.95,.46,;-5.91,-1.8,;-5.9,-3.34,;-4.58,-1.02,;-3.24,-1.78,;-3.23,-3.32,;-1.89,-4.08,;-1.91,-1,;-1.93,.54,;-.57,-1.75,;.76,-.97,;.75,.57,;2.08,1.35,;-.6,1.33,;2.1,-1.73,;2.12,-3.26,;3.42,-.94,;4.77,-1.7,;4.78,-3.25,;6.12,-4,;7.52,-3.36,;8.56,-4.5,;7.81,-5.84,;8.29,-7.3,;7.27,-8.45,;5.77,-8.15,;5.28,-6.69,;6.3,-5.53,;6.09,-.92,;6.08,.62,;7.43,-1.68,;8.76,-.9,;8.75,.63,;10.07,1.42,;10.06,2.96,;8.72,3.73,;11.39,3.74,;10.1,-1.66,;10.11,-3.2,;11.43,-.87,;12.77,-1.62,;12.78,-3.17,;14.12,-3.93,;15.44,-3.14,;14.14,-5.47,;14.09,-.84,;14.08,.69,;15.43,-1.61,;16.76,-.83,;16.75,.71,;18.07,1.5,;19.48,.88,;20.5,2.04,;19.72,3.36,;20.19,4.83,;19.15,5.97,;17.64,5.63,;16.61,6.76,;17.18,4.16,;18.22,3.03,;18.1,-1.58,;18.11,-3.12,;19.43,-.79,;20.76,-1.56,;22.09,-.78,;22.08,.77,;23.43,-1.53,;24.76,-.75,;24.75,.79,;26.1,-1.5,;26.11,-3.04,;27.43,-.72,;28.77,-1.48,;28.77,-3.02,;30.12,-3.77,;31.51,-3.14,;32.56,-4.26,;31.8,-5.61,;30.29,-5.3,;30.09,-.7,;30.07,.84,;31.43,-1.45,;32.76,-.68,;32.75,.86,;34.07,1.65,;34.06,3.18,;35.39,3.97,;35.38,5.51,;34.03,6.27,;36.7,6.29,;34.11,-1.44,;34.12,-2.98,;35.43,-.65,;36.78,-1.41,;36.79,-2.95,;38.13,-3.7,;38.1,-.63,;38.09,.91,;39.44,-1.38,;40.77,-.6,;40.76,.94,;39.42,1.7,;42.09,1.72,;42.11,-1.35,;43.43,-.57,;42.13,-2.89,)|

Structure