BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMultidrug resistance protein CDR1
LigandBDBM84125
Substrate/Competitorn/a
Meas. Tech.Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr1 with Hit compounds from Cherry Pick1
EC50 10700±n/a nM
Citation PubChem, PC Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr1 with Hit compounds from Cherry Pick1 PubChem Bioassay(2011)[AID]
More Info.:Get all data from this article,  Assay Method
 
Multidrug resistance protein CDR1
Name:Multidrug resistance protein CDR1
Synonyms:CDR1 | CDR1_CANAX | Multidrug resistance protein CDR1 | drug resistance protein 1
Type:PROTEIN
Mol. Mass.:169942.67
Organism:Candida albicans
Description:ChEMBL_708756
Residue:1501
Sequence:
MSDSKMSSQDESKLEKAISQDSSSENHSINEYHGFDAHTSENIQNLARTFTHDSFKDDSS
AGLLKYLTHMSEVPGVNPYEHEEINNDQLNPDSENFNAKFWVKNLRKLFESDPEYYKPSK
LGIGYRNLRAYGVANDSDYQPTVTNALWKLATEGFRHFQKDDDSRYFDILKSMDAIMRPG
ELTVVLGRPGAGCSTLLKTIAVNTYGFHIGKESQITYDGLSPHDIERHYRGDVIYSAETD
VHFPHLSVGDTLEFAARLRTPQNRGEGIDRETYAKHMASVYMATYGLSHTRNTNVGNDFV
RGVSGGERKRVSIAEASLSGANIQCWDNATRGLDSATALEFIRALKTSAVILDTTPLIAI
YQCSQDAYDLFDKVVVLYEGYQIFFGKATKAKEYFEKMGWKCPQRQTTADFLTSLTNPAE
REPLPGYEDKVPRTAQEFETYWKNSPEYAELTKEIDEYFVECERSNTRETYRESHVAKQS
NNTRPASPYTVSFFMQVRYGVARNFLRMKGDPSIPIFSVFGQLVMGLILSSVFYNLSQTT
GSFYYRGAAMFFAVLFNAFSSLLEIMSLFEARPIVEKHKKYALYRPSADALASIISELPV
KLAMSMSFNFVFYFMVNFRRNPGRFFFYWLMCIWCTFVMSHLFRSIGAVSTSISGAMTPA
TVLLLAMVIYTGFVIPTPSMLGWSRWINYINPVGYVFESLMVNEFHGREFQCAQYVPSGP
GYENISRSNQVCTAVGSVPGNEMVSGTNYLAGAYQYYNSHKWRNLGITIGFAVFFLAIYI
ALTEFNKGAMQKGEIVLFLKGSLKKHKRKTAASNKGDIEAGPVAGKLDYQDEAEAVNNEK
FTEKGSTGSVDFPENREIFFWRDLTYQVKIKKEDRVILDHVDGWVKPGQITALMGASGAG
KTTLLNCLSERVTTGIITDGERLVNGHALDSSFQRSIGYVQQQDVHLPTSTVREALQFSA
YLRQSNKISKKEKDDYVDYVIDLLEMTDYADALVGVAGEGLNVEQRKRLTIGVELVAKPK
LLLFLDEPTSGLDSQTAWSICKLMRKLADHGQAILCTIHQPSALIMAEFDRLLFLQKGGR
TAYFGELGENCQTMINYFEKYGADPCPKEANPAEWMLQVVGAAPGSHAKQDYFEVWRNSS
EYQAVREEINRMEAELSKLPRDNDPEALLKYAAPLWKQYLLVSWRTIVQDWRSPGYIYSK
IFLVVSAALFNGFSFFKAKNNMQGLQNQMFSVFMFFIPFNTLVQQMLPYFVKQRDVYEVR
EAPSRTFSWFAFIAGQITSEIPYQVAVGTIAFFCWYYPLGLYNNATPTDSVNPRGVLMWM
LVTAFYVYTATMGQLCMSFSELADNAANLATLLFTMCLNFCGVLAGPDVLPGFWIFMYRC
NPFTYLVQAMLSTGLANTFVKCAEREYVSVKPPNGESCSTYLDPYIKFAGGYFETRNDGS
CAFCQMSSTNTFLKSVNSLYSERWRNFGIFIAFIAINIILTVIFYWLARVPKGNREKKNK
K
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM84125
n/a
NameBDBM84125
Synonyms:1-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine | 1-[2-[4-[2-(3,5-dimethoxyphenyl)-5-methoxy-benzothiophen-3-yl]phenoxy]ethyl]piperidine | MLS002603243 | SMR001522218 | cid_44601952
TypeSmall organic molecule
Emp. Form.C30H33NO4S
Mol. Mass.503.652
SMILESCOc1ccc2sc(c(-c3ccc(OCCN4CCCCC4)cc3)c2c1)-c1cc(OC)cc(OC)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: