Ki Summary

Reaction Details

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Target

Complement C3

Ligand

BDBM50191375

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

BDBM50191375

n/a

Name

BDBM50191375

Synonyms:

Ac-ICV(1MeW)QDWGAHRCT-NH2 | CHEMBL427239

Type

Small organic molecule

Emp. Form.

C72H102FN21O19S2

Mol. Mass.

1648.838

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](Cc1cn(C)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:76.80,4.4,40.41,18.17,91.95,57.58,108.112,109.115,wD:2.2,81.84,49.50,25.24,12.11,102.106,(-7.85,-4.07,;-7.83,-5.61,;-6.5,-6.36,;-5.17,-5.58,;-6.49,-7.9,;-7.82,-8.68,;-9.16,-7.93,;-10.48,-8.71,;-9.17,-6.4,;-5.14,-8.66,;-5.13,-10.21,;-3.81,-7.88,;-2.47,-8.64,;-2.45,-10.18,;-1.11,-10.94,;-1.14,-7.85,;-1.16,-6.32,;.2,-8.61,;1.53,-7.83,;1.52,-6.29,;2.85,-5.51,;.17,-5.53,;2.87,-8.59,;2.89,-10.13,;4.2,-7.81,;5.54,-8.56,;5.55,-10.11,;6.89,-10.86,;8.29,-10.22,;9.33,-11.36,;10.86,-11.18,;8.58,-12.7,;9.06,-14.16,;8.04,-15.31,;6.54,-15.01,;6.05,-13.55,;7.07,-12.4,;6.86,-7.78,;6.85,-6.24,;8.2,-8.54,;9.54,-7.77,;9.52,-6.23,;10.84,-5.44,;10.83,-3.9,;9.49,-3.13,;12.16,-3.12,;10.87,-8.52,;10.88,-10.06,;12.2,-7.73,;13.54,-8.48,;13.55,-10.03,;14.89,-10.79,;16.21,-10,;14.91,-12.33,;14.87,-7.7,;14.85,-6.17,;16.2,-8.47,;17.53,-7.69,;17.52,-6.15,;18.85,-5.36,;20.26,-5.98,;21.28,-4.82,;20.49,-3.5,;20.96,-2.03,;19.92,-.89,;18.42,-1.23,;17.38,-.1,;17.95,-2.7,;19,-3.83,;18.88,-8.44,;18.89,-9.98,;20.2,-7.65,;21.54,-8.42,;22.86,-7.64,;22.85,-6.09,;24.21,-8.39,;25.54,-7.61,;25.52,-6.07,;26.87,-8.37,;26.88,-9.91,;28.2,-7.58,;29.54,-8.34,;29.55,-9.88,;30.89,-10.63,;32.29,-10,;33.33,-11.13,;32.57,-12.47,;31.06,-12.16,;30.86,-7.56,;30.85,-6.02,;32.2,-8.32,;33.53,-7.54,;33.52,-6,;34.85,-5.22,;34.84,-3.68,;36.16,-2.89,;36.15,-1.35,;34.8,-.59,;37.47,-.57,;34.88,-8.3,;34.89,-9.84,;36.21,-7.52,;37.55,-8.27,;37.57,-9.81,;38.91,-10.56,;38.87,-7.49,;38.86,-5.95,;40.22,-8.24,;41.55,-7.46,;41.54,-5.92,;40.19,-5.17,;42.86,-5.14,;42.88,-8.21,;44.21,-7.43,;42.9,-9.75,)|

Structure