Reaction Details Report a problem with these data
Target
Telomerase reverse transcriptase
Ligand
BDBM50150621
Substrate
n/a
Meas. Tech.
ChEMBL_622825 (CHEMBL1105835)
IC50
318±n/a nM
Citation
 Castillo-González, D; Cabrera-Pérez, MA; Pérez-González, M; Morales Helguera, A; Durán-Martínez, A Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure. Eur J Med Chem 44:4826-40 (2009) [PubMed]  Article 
Target
Name:
Telomerase reverse transcriptase
Synonyms:
EST2 | TCS1 | TERT | TERT_HUMAN | TRT
Type:
PROTEIN
Mol. Mass.:
127099.03
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1447029
Residue:
1132
Sequence:
MPRAPRCRAVRSLLRSHYREVLPLATFVRRLGPQGWRLVQRGDPAAFRALVAQCLVCVPWDARPPPAAPSFRQVSCLKELVARVLQRLCERGAKNVLAFGFALLDGARGGPPEAFTTSVRSYLPNTVTDALRGSGAWGLLLRRVGDDVLVHLLARCALFVLVAPSCAYQVCGPPLYQLGAATQARPPPHASGPRRRLGCERAWNHSVREAGVPLGLPAPGARRRGGSASRSLPLPKRPRRGAAPEPERTPVGQGSWAHPGRTRGPSDRGFCVVSPARPAEEATSLEGALSGTRHSHPSVGRQHHAGPPSTSRPPRPWDTPCPPVYAETKHFLYSSGDKEQLRPSFLLSSLRPSLTGARRLVETIFLGSRPWMPGTPRRLPRLPQRYWQMRPLFLELLGNHAQCPYGVLLKTHCPLRAAVTPAAGVCAREKPQGSVAAPEEEDTDPRRLVQLLRQHSSPWQVYGFVRACLRRLVPPGLWGSRHNERRFLRNTKKFISLGKHAKLSLQELTWKMSVRDCAWLRRSPGVGCVPAAEHRLREEILAKFLHWLMSVYVVELLRSFFYVTETTFQKNRLFFYRKSVWSKLQSIGIRQHLKRVQLRELSEAEVRQHREARPALLTSRLRFIPKPDGLRPIVNMDYVVGARTFRREKRAERLTSRVKALFSVLNYERARRPGLLGASVLGLDDIHRAWRTFVLRVRAQDPPPELYFVKVDVTGAYDTIPQDRLTEVIASIIKPQNTYCVRRYAVVQKAAHGHVRKAFKSHVSTLTDLQPYMRQFVAHLQETSPLRDAVVIEQSSSLNEASSGLFDVFLRFMCHHAVRIRGKSYVQCQGIPQGSILSTLLCSLCYGDMENKLFAGIRRDGLLLRLVDDFLLVTPHLTHAKTFLRTLVRGVPEYGCVVNLRKTVVNFPVEDEALGGTAFVQMPAHGLFPWCGLLLDTRTLEVQSDYSSYARTSIRASLTFNRGFKAGRNMRRKLFGVLRLKCHSLFLDLQVNSLQTVCTNIYKILLLQAYRFHACVLQLPFHQQVWKNPTFFLRVISDTASLCYSILKAKNAGMSLGAKGAAGPLPSEAVQWLCHQAFLLKLTRHRVTYVPLLGSLRTAQTQLSRKLPGTTLTALEAAANPALPSDFKTILD
  
Inhibitor
Name:
BDBM50150621
Synonyms:
6-Oxo-6-pyrrolidin-1-yl-hexanoic acid {4-[3,6-bis-(3-pyrrolidin-1-yl-propionylamino)-acridin-9-ylamino]-phenyl}-amide | CHEMBL181970 | N,N'-(9-(4-(6-oxo-6-(pyrrolidin-1-yl)hexanamido)phenylamino)acridine-3,6-diyl)bis(3-(pyrrolidin-1-yl)propanamide)
Type:
Small organic molecule
Emp. Form.:
C43H54N8O4
Mol. Mass.:
746.9401
SMILES:
O=C(CCCCC(=O)N1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Structure:
Search PDB for entries with ligand similarity: