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TargetP-glycoprotein 1 and 3 (MDR1a/MDR1b)
LigandBDBM50109800
Substrate/Competitorn/a
Meas. Tech.ChEMBL_64945
IC50 1000±n/a nM
Citation Wang, SRyder, HPretswell, IDepledge, PMilton, JHancox, TCDale, IDangerfield, WCharlton, PFaint, RDodd, RHassan, S Studies on quinazolinones as dual inhibitors of Pgp and MRP1 in multidrug resistance. Bioorg Med Chem Lett12:571-4 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
P-glycoprotein 1 and 3 (MDR1a/MDR1b)
Name:P-glycoprotein 1 and 3 (MDR1a/MDR1b)
Synonyms:ATP-binding cassette sub-family B member 1 | CD_antigen=CD243 | Multidrug resistance protein 1 | P-glycoprotein 1
Type:PROTEIN
Mol. Mass.:141009.67
Organism:Mus musculus
Description:ChEMBL_474396
Residue:1276
Sequence:
MEFEENLKGRADKNFSKMGKKSKKEKKEKKPAVGVFGMFRYADWLDKLCMILGTLAAIIH
GTLLPLLMLVFGNMTDSFTKAEASILPSITNQSGPNSTLIISNSSLEEEMAIYAYYYTGI
GAGVLIVAYIQVSLWCLAAGRQIHKIRQKFFHAIMNQEIGWFDVHDVGELNTRLTDDVSK
INDGIGDKIGMFFQSITTFLAGFIIGFISGWKLTLVILAVSPLIGLSSALWAKVLTSFTN
KELQAYAKAGAVAEEVLAAIRTVIAFGGQQKELERYNKNLEEAKNVGIKKAITASISIGI
AYLLVYASYALAFWYGTSLVLSNEYSIGEVLTVFFSILLGTFSIGHLAPNIEAFANARGA
AFEIFKIIDNEPSIDSFSTKGYKPDSIMGNLEFKNVHFNYPSRSEVQILKGLNLKVKSGQ
TVALVGNSGCGKSTTVQLMQRLYDPLEGVVSIDGQDIRTINVRYLREIIGVVSQEPVLFA
TTIAENIRYGREDVTMDEIEKAVKEANAYDFIMKLPHQFDTLVGERGAQLSGGQKQRIAI
ARALVRNPKILLLDEATSALDTESEAVVQAALDKAREGRTTIVIAHRLSTVRNADVIAGF
DGGVIVEQGNHDELMREKGIYFKLVMTQTRGNEIEPGNNAYGSQSDTDASELTSEESKSP
LIRRSIYRSVHRKQDQERRLSMKEAVDEDVPLVSFWRILNLNLSEWPYLLVGVLCAVING
CIQPVFAIVFSRIVGVFSRDDDHETKRQNCNLFSLFFLVMGLISFVTYFFQGFTFGKAGE
ILTKRVRYMVFKSMLRQDISWFDDHKNSTGSLTTRLASDASSVKGAMGARLAVVTQNVAN
LGTGVILSLVYGWQLTLLLVVIIPLIVLGGIIEMKLLSGQALKDKKQLEISGKIATEAIE
NFRTIVSLTREQKFETMYAQSLQVPYRNAMKKAHVFGITFSFTQAMMYFSYAACFRFGAY
LVAQQLMTFENVMLVFSAVVFGAMAAGNTSSFAPDYAKAKVSASHIIRIIEKTPEIDSYS
TEGLKPTLLEGNVKFNGVQFNYPTRPNIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQL
LERFYDPMAGSVFLDGKEIKQLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRAVSH
EEIVRAAKEANIHQFIDSLPDKYNTRVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEA
TSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVIENGKVKEHGTHQQLLA
QKGIYFSMVQAGAKRS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50109800
NameBDBM50109800
Synonyms:3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(4-isopropyl-phenyl)-3H-quinazolin-4-one | CHEMBL156947
TypeSmall organic molecule
Emp. Form.C30H33N3O3
Mol. Mass.483.6013
SMILESCOc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)C(C)C)Cc2cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a