Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein
Ligand
BDBM50087435
Substrate
n/a
Meas. Tech.
ChEMBL_88784 (CHEMBL699442)
IC50
20900±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:
BDBM50087435
Synonyms:
(E)-8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carboxylic acid | 8-Hydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]-quinoline-7-carboxylic acid | 8-hydroxy-2-(4-hydroxystyryl)quinoline-7-carboxylic acid | CHEMBL418613
Type:
Small organic molecule
Emp. Form.:
C18H13NO4
Mol. Mass.:
307.3001
SMILES:
OC(=O)c1ccc2ccc(\C=C\c3ccc(O)cc3)nc2c1O
Structure:
Search PDB for entries with ligand similarity: