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Target
Pol polyprotein
Ligand
BDBM50004786
Substrate
n/a
Meas. Tech.
ChEBML_159124
IC50
13000±n/a nM
Citation
 DeCamp, DL; Babé, LM; Salto, R; Lucich, JL; Koo, MS; Kahl, SB; Craik, CS Specific inhibition of HIV-1 protease by boronated porphyrins. J Med Chem 35:3426-8 (1992) [PubMed]  Article 
Target
Name:
Pol polyprotein
Synonyms:
Human immunodeficiency virus type 2 pol protein
Type:
PROTEIN
Mol. Mass.:
100453.78
Organism:
Human immunodeficiency virus 2
Description:
ChEMBL_159124
Residue:
876
Sequence:
MTGDTPINIFGRNILTALGMSLNLPVARIEPIKITLKPGKDGPRLKQWPLTKEKVEALKEICEKMEKEGQLEEAPPTNPYNTPTFAIKKKDKNKWRMLIDFRELNRVTQDFTEIQLGIPHPAGLAKKKRITVLDVGDAYFSIPLYEDFRPYTAFTLPSVNNVEPGKRYIYKVLPQGWKGSPAIFQYTMRQILEPFRKANPDVILIQYMDDILIASDRTGLEHDKVVLQLKELLNGLGFSTPEEKFQKDPPFQWMGYELWPTKWKLQKIQLPQKETWTVNDIQKLVGILNWAAQIYPGIKTKHLCRLIRGKMTLTEEVQWTELAEAELEENRIILDQEQEGHYYQEEKELEATIQKSQDNQWTYKIHQEEKILKVGKYAKIKNTHTNGVRLLAQVVQKIGKEALVIWGRIPKFHLPVERETWEQWWDNYWQVTWIPEWDFVSTPPLVRLTFNLVGDPIPGTETFYTDGSCNRQSKEGKAGYVTDRGRDKVRVLEQTTNQQAELEAFAMALADSGPKVNIIVDSQYVMGIVASQPTESESRIVNQIIEDMIKKEAVYVAWIPAHKGIGGNQEVDHLVSQGIRQVLFLEKIEPAQEEHEKYHSNIKELIHKFGIPQLVARQIVNTCAQCQQKGEAIHGQVNAEIGVWQMDCTHLEGKIIIVAVHVASGFIEAEVIPQESGRQTALFLLKLASRWPITHLHTDNGPNFTSQEVKMVAWWVGIEQSFGVPYNPQSQGVVEAMNHHLKNQISRIREQANTVETIVLMAVHCMNFKRRGGIGDMTPAERLINMITTEQEIQFLQRKNSNFKKFQVYYREGRDQLWKGPGELLWKGEGAVIVKVGADIKVVPRRKAKIIRDYGGRQELDSSPHLEGAREDGEVA
  
Inhibitor
Name:
BDBM50004786
Synonyms:
CHEMBL268410 | Porphyrin analogue
Type:
Small organic molecule
Emp. Form.:
C78H94N4O12
Mol. Mass.:
1279.6006
SMILES:
Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)OC(=O)C12C[C@H]5C[C@H](C[C@H](C5)C1)C2)c(C)c4C(COC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)OC(=O)C12C[C@H]4C[C@H](C[C@H](C4)C1)C2)c(C)c3CCC(O)=O |TLB:48:49:53:46.47.52,35:36:40:33.34.39,70:65:72:71.69.68,70:69:72:64.65.66,THB:81:80:77:84.82.83,81:82:77:85.80.79,48:47:53:54.49.50,35:34:40:41.36.37|
Structure:
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