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Target
Pol polyprotein
Ligand
BDBM50004778
Substrate
n/a
Meas. Tech.
ChEMBL_159124 (CHEMBL769501)
IC50
700±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:
BDBM50004778
Synonyms:
3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid | CHEMBL326831
Type:
Small organic molecule
Emp. Form.:
C50H46N4O12
Mol. Mass.:
894.9198
SMILES:
Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62|
Structure:
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