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Target
Gag-Pol polyprotein
Ligand
BDBM50065802
Substrate
n/a
Meas. Tech.
ChEMBL_88784 (CHEMBL699442)
IC50
>100000.00±n/a nM
Citation
 Ouali, M; Laboulais, C; Leh, H; Gill, D; Desmaële, D; Mekouar, K; Zouhiri, F; d'Angelo, J; Auclair, C; Mouscadet, JF; Le Bret, M Modeling of the inhibition of retroviral integrases by styrylquinoline derivatives. J Med Chem 43:1949-57 (2000) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein
Synonyms:
POL_RSVP | Rous sarcoma virus integrase | gag-pol
Type:
PROTEIN
Mol. Mass.:
173907.80
Organism:
Rous sarcoma virus (strain Prague C) (RSV-PrC)
Description:
ChEMBL_88784
Residue:
1603
Sequence:
MEAVIKVISSACKTYCGKTSPSKKEIGAMLSLLQKEGLLMSPSDLYSPGSWDPITAALSQRAMILGKSGELKTWGLVLGALKAAREEQVTSEQAKFWLGLGGGRVSPPGPECIEKPATERRIDKGEEVGETTVQRDAKMAPEETATPKTVGTSCYHCGTAIGCNCATASAPPPPYVGSGLYPSLAGVGEQQGQGGDTPPGAEQSRAEPGHAGQAPGPALTDWARVREELASTGPPVVAMPVVIKTEGPAWTPLEPKLITRLADTVRTKGLRSPITMAEVEALMSSPLLPHDVTNLMRVILGPAPYALWMDAWGVQLQTVIAAATRDPRHPANGQGRGERTNLNRLKGLADGMVGNPQGQAALLRPGELVAITASALQAFREVARLAEPAGPWADIMQGPSESFVDFANRLIKAVEGSDLPPSARAPVIIDCFRQKSQPDIQQLIRTAPSTLTTPGEIIKYVLDRQKTAPLTDQGIAAAMSSAIQPLIMAVVNRERDGQTGSGGRARGLCYTCGSPGHYQAQCPKKRKSGNSRERCQLCNGMGHNAKQCRKRDGNQGQRPGKGLSSGPWPGPEPPAVSLAMTMEHKDRPLVRVILTNTGSHPVKQRSVYITALLDSGADITIISEEDWPTDWPVMEAANPQIHGIGGGIPMRKSRDMIELGVINRDGSLERPLLLFPAVAMVRGSILGRDCLQGLGLRLTNLIGRATVLTVALHLAIPLKWKPDHTPVWIDQWPLPEGKLVALTQLVEKELQLGHIEPSLSCWNTPVFVIRKASGSYRLLHDLRAVNAKLVPFGAVQQGAPVLSALPRGWPLMVLDLKDCFFSIPLAEQDREAFAFTLPSVNNQAPARRFQWKVLPQGMTCSPTICQLVVGQVLEPLRLKHPSLCMLHYMDDLLLAASSHDGLEAAGEEVISTLERAGFTISPDKVQREPGVQYLGYKLGSTYVAPVGLVAEPRIATLWDVQKLVGSLQWLRPALGIPPRLMGPFYEQLRGSDPNEAREWNLDMKMAWREIVRLSTTAALERWDPALPLEGAVARCEQGAIGVLGQGLSTHPRPCLWLFSTQPTKAFTAWLEVLTLLITKLRASAVRTFGKEVDILLLPACFREDLPLPEGILLALKGFAGKIRSSDTPSIFDIARPLHVSLKVRVTDHPVPGPTVFTDASSSTHKGVVVWREGPRWEIKEIADLGASVQQLEARAVAMALLLWPTTPTNVVTDSAFVAKMLLKMGQEGVPSTAAAFILEDALSQRSAMAAVLHVRSHSEVPGFFTEGNDVADSQATFQAYPLREAKDLHTALHIGPRALSKACNISMQQAREVVQTCPHCNSAPALEAGVNPRGLGPLQIWQTDFTLEPRMAPRSWLAVTVDTASSAIVVTQHGRVTSVAVQHHWATAIAVLGRPKAIKTDNGSCFTSKSTREWLARWGIAHTTGIPGNSQGQAMVERANRLLKDRIRVLAEGDGFMKRIPTSKQGELLAKAMYALNHFERGENTKTPIQKHWRPTVLTEGPPVKIRIETGEWEKGWNVLVWGRGYAAVKNRDTDKVIWVPSRKVKPDITQKDEVTKKDEASPLFAGISDWIPWEDEQEGLQGETASNKQERPGEDTLAANES
  
Inhibitor
Name:
BDBM50065802
Synonyms:
Acetic acid 2-acetoxy-5-[(E)-2-(8-acetoxy-quinolin-2-yl)-vinyl]-phenyl ester | Acetic acid 2-acetoxy-5-[2-(8-acetoxy-quinolin-2-yl)-vinyl]-phenyl ester | CHEMBL58923
Type:
Small organic molecule
Emp. Form.:
C23H19NO6
Mol. Mass.:
405.4001
SMILES:
CC(=O)Oc1ccc(\C=C\c2ccc3cccc(OC(C)=O)c3n2)cc1OC(C)=O
Structure:
Search PDB for entries with ligand similarity: