Target
Pol polyprotein
Ligand
BDBM50004785
Substrate
n/a
Meas. Tech.
ChEBML_159124
IC50
30000±n/a nM
Citation
 DeCamp, DLBabé, LMSalto, RLucich, JLKoo, MSKahl, SBCraik, 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:
BDBM50004785
Synonyms:
CHEMBL217693 | Porphyrin analogue
Type:
Small organic molecule
Emp. Form.:
C62H54N4O12
Mol. Mass.:
1047.1118
SMILES:
Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c4C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c3CCC(O)=O
Structure:
Search PDB for entries with ligand similarity: