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Target
Pol polyprotein
Ligand
BDBM50212827
Substrate
n/a
Meas. Tech.
ChEBML_159124
IC50
30±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:
BDBM50212827
Synonyms:
CHEMBL3350189
Type:
Small organic molecule
Emp. Form.:
C45H61N7O7
Mol. Mass.:
812.0085
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
Structure:
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