Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetP-glycoprotein 1
LigandBDBM50121978
Substrate/Competitorn/a
Meas. Tech.ChEMBL_147982
Ki 100±n/a nM
Citation Pajeva, IKWiese, M Pharmacophore model of drugs involved in P-glycoprotein multidrug resistance: explanation of structural variety (hypothesis). J Med Chem45:5671-86 (2002) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
P-glycoprotein 1
Name:Multidrug resistance protein 1/Multidrug resistance associated protein 1
Synonyms:Multidrug Resistance Transporter MDR 1 | Multidrug resistance protein 1 | P-glycoprotein (P-gp)
Type:Protein
Mol. Mass.:141503.50
Organism:Homo sapiens (Human)
Description:P08183
Residue:1280
Sequence:
MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAII
HGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSG
IGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVS
KINEGIGDKIGMFFQSMATFFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFT
DKELLAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISIG
AAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQASPSIEAFANARG
AAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHFSYPSRKEVKILKGLNLKVQSG
QTVALVGNSGCGKSTTVQLMQRLYDPTEGMVSVDGQDIRTINVRFLREIIGVVSQEPVLF
ATTIAENIRYGRENVTMDEIEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIA
IARALVRNPKILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIAG
FDDGVIVEKGNHDELMKEKGIYFKLVTMQTAGNEVELENAADESKSEIDALEMSSNDSRS
SLIRKRSTRRSVRGSQAQDRKLSTKEALDESIPPVSFWRIMKLNLTEWPYFVVGVFCAII
NGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLALGIISFITFFLQGFTFGKA
GEILTKRLRYMVFRSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGAIGSRLAVITQNI
ANLGTGIIISFIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEA
IENFRTVVSLTQEQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFG
AYLVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMIIEKTPLIDS
YSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKKGQTLALVGSSGCGKSTVV
QLLERFYDPLAGKVLLDGKEIKRLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRVV
SQEEIVRAAKEANIHAFIESLPNKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLD
EATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQL
LAQKGIYFSMVSVQAGTKRQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50121978
NameBDBM50121978
Synonyms:2-(6-Amino-3-imino-3H-xanthen-9-yl)-benzoic acid methyl ester | CHEMBL347534
TypeSmall organic molecule
Emp. Form.C21H16N2O3
Mol. Mass.344.3633
SMILESCOC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=N)ccc12 |(6.77,-8.35,;6.76,-6.81,;5.42,-6.05,;6.51,-4.95,;4.09,-6.83,;4.09,-8.37,;2.76,-9.15,;1.43,-8.37,;1.43,-6.83,;2.76,-6.07,;2.76,-4.53,;4.11,-3.75,;5.41,-4.51,;6.79,-3.75,;6.77,-2.2,;8.1,-1.43,;5.44,-1.43,;4.11,-2.2,;2.76,-1.42,;1.43,-2.2,;.09,-1.43,;-1.24,-2.22,;-2.57,-1.45,;-1.24,-3.75,;.09,-4.52,;1.42,-3.76,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a