| Reaction Details |
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 | Report a problem with these data |
| Target | Multidrug resistance protein CDR2 |
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| Ligand | BDBM65279 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr2 with Hit compounds from Cherry Pick1 |
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| EC50 | 10900±n/a nM |
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| Citation |  PubChem, PC Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr2 with Hit compounds from Cherry Pick1 PubChem Bioassay(2011)[AID] |
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| More Info.: | Get all data from this article, Assay Method |
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| Multidrug resistance protein CDR2 |
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| Name: | Multidrug resistance protein CDR2 |
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| Synonyms: | CDR2 | CDR2_CANAL | drug resistance protein 2 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 168970.05 |
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| Organism: | Candida albicans |
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| Description: | P78595 |
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| Residue: | 1499 |
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| Sequence: | MSTANTSLSQQLDEKPWVDASDNSSVQEYQGFDATASHNIQDLARKLTHGSTNGDHHSAN
DLARYLSHMSDIPGVSPFNGNISHEQLDPDSENFNAKYWVKNLKKLFESDSDYYKPSKLG
VAYRNLRAYGIANDSDYQPTVTNALWKFTTEAINKLKKPDDSKYFDILKSMDAIMRPGEL
TVVLGRPGAGCSTLLKTIAVNTYGFHIGKESQITYDGLSPHDIERHYRGDVIYSAETDVH
FPHLSVGDTLEFAARLRTPQNRGEGIDRETYAKHMASVYMATYGLSHTRNTNVGNDFVRG
VSGGERKRVSIAEASLSGANIQCWDNATRGLDSATALEFIRALKTSATILDTTPLIAIYQ
CSQDAYELFDNVVVLYEGYQIFFGKASKAKEYFENMGWKCPQRQTTADFLTSLTNPAERE
PLPGYEDKVPRTAQEFETFWKNSPEYAELTKEIDEYFVECERSNTGETYRESHVAKQSNN
TRPSSPYTVSFFMQVRYVIARNFLRMKGDPSIPLISILSQLVMGLILASVFFNLRKSTDT
FYFRGGALFFSVLFNAFSSLLEILSLYEARPIVEKHRKYALYRPSADALASIISELPVKL
LMTMSFNIVYYFMVNLRRTAGNFFFYWLMCASCTLVMSHMFRSIGAVTTTIATAMSLSTV
FLLAMIIYAGFVLPIPYILGWSRWIRYINPVTYIFESLMVNEFHGREFECGQYIPSGPGF
ENLPVENKVCTTVGSTPGSTVVQGTEYIKLAYQFYSSHKWRNFGITVAFAVFFLGVYVAL
TEFNKGAMQKGEIVLFLKGSLKKHKRKTAASNKGDIEAGPVAGKLDYQDEAEAVNNEKFT
EKGSTGSVDFPENREIFFWRDLTYQVKIKKEDRVILDHVDGWVKPGQITALMGASGAGKT
TLLNCLSERVTTGIITDGERLVNGHALDSSFQRSIGYVQQQDVHLETTTVREALQFSAYL
RQSNKISKKEKDDYVDYVIDLLEMTDYADALVGVAGEGLNVEQRKRLTIGVELVAKPKLL
LFLDEPTSGLDSQTAWSICKLMRKLADHGQAILCTIHQPSALIMAEFDKLLFLQKGGRTA
YFGELGENCQTMINYFEKYGADPCPKEANPAEWMLQVVGAAPGSHAKQDYFEVWRNSSEY
QAVREEINRMEAELSKLPRDNDPEALLKYAAPLWKQYLLVSWRTIVQDWRSPGYIYSKLI
LVISSSLFIGFSFFKSKNNLQGLQSQMLAVFMFFVPFTTFIDQMLPYFVKHRAVYEVREA
PSRTFSWFAFIAGQITSEIPFQIVVGTISYFCWYYPVGLYANAEPTDSVNSRGVLMWMLL
TAFYVYTSTMGQLAISLNELIDNAANLATTLFTLCLMFCGVLAGPNVIPGFWIFMYRCNP
FTYLIQAILSTGLANAKVTCAPRELVTLKPPMGETCSSFIGPYTEAAGGYFSTNSDGTCS
VCRIDSTNQFLESINALFSQRWRNFGIFVAFIGINIILTIFFYWLARVPKGNREKKMKK
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| BDBM65279 |
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| n/a |
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| Name | BDBM65279 |
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| Synonyms: | 2-(3-methyl-1-adamantyl)acetic acid 2-[4-methyl-3-(4-nitrobenzyl)thiazol-3-ium-5-yl]ethyl ester;bromide | 2-(3-methyl-1-adamantyl)acetic acid 2-[4-methyl-3-[(4-nitrophenyl)methyl]-5-thiazol-3-iumyl]ethyl ester;bromide | 2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)acetate;bromide | 2-[4-methyl-3-[(4-nitrophenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl 2-(3-methyl-1-adamantyl)ethanoate;bromide | 4-methyl-5-(2-{[(3-methyl-1-adamantyl)acetyl]oxy}ethyl)-3-(4-nitrobenzyl)-1,3-thiazol-3-ium bromide | MLS000684824 | SMR000268123 | cid_2884333 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H33N2O4S |
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| Mol. Mass. | 469.616 |
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| SMILES | [H]C12CC3([H])CC(C)(C1)CC(CC(=O)OCCc1sc[n+](Cc4ccc(cc4)[N+]([O-])=O)c1C)(C2)C3 |TLB:5:3:33:6.9.8,THB:2:3:9:1.33.8,7:6:33:3.34.2,5:6:33:3.34.2| |
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| Structure | 
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