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Target
Drug resistance protein 2
Ligand
BDBM91522
Substrate
n/a
Meas. Tech.
Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr2 with Cherry Pick2 compound set
EC50
72630±n/a nM
Citation
 PubChem, PC Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr2 with Cherry Pick2 compound set PubChem Bioassay (2012)[AID] 
Target
Name:
Drug resistance protein 2
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
169004.09
Organism:
Candida albicans
Description:
Q19S54
Residue:
1499
Sequence:
MSTANTSLSQQLDEKPWVDASDNSSVQEYQGFDATASHNIQDLARKLTHGSTNGDHHSANDLARYLSHMSDIPGVSPFNGNISHEQLDPDSENFNAKYWVKNLKKLFESDSDYYKPSKLGVAYRNLRAYGIANDSDYQPTVTNALWKFTTEAINKLKKPDDSKYFDILKSMDAIMRPGELTVVLGRPGAGCSTLLKTIAVNTYGFHIGKESQITYDGLSPHDIERHYRGDVIYSAETDVHFPHLSVGDTLEFAARLRTPQNRGEGIDRETYAKHMASVYMATYGLSHTRNTNVGNDFVRGVSGGERKRVSIAEASLSGANIQCWDNATRGLDSATALEFIRALKTSATILDTTPLIAIYQCSQDAYELFDNVVVLYEGYQIFFGKASKAKEYFENMGWKCPQRQTTADFLTSLTNPAEREPLPGYEDKVPRTAQEFETFWKNSPEYAELTKEIDEYFVECERSNTGETYRESHVAKQSNNTRPSSPYTVSFFMQVRYVIARNFLRMKGDPSIPLISILSQLVMGLILASVFFNLRKSTDTFYFRGGALFFSVLFNAFSSLLEILSLYEARPIVEKHRKYALYRPSADALASIISELPVKLLMTMSFNIVYYFMVNLRRTAGNFFFYWLMCASCTLVMSHMFRSIGAVTTTIATAMSLSTVFLLAMIIYAGFVLPIPYILGWSRWIRYINPVTYIFESLMVNEFHGREFECGQYIPSGPGFENLPVENKVCTTVGSTPGSTVVQGTEYIKLAYQFYSSHKWRNFGITVAFAVFFLGVYVALTEFNKGAMQKGEIVLFLKGSLKKHKRKTAASNKGDIEAGPVAGKLDYQDEAEAVNNEKFTEKGSTGSVDFPENREIFFWRDLTYQVKIKKEDRVILDHVDGWVKPGQITALMGASGAGKTTLLNCLSERVTTGIITDGERLVNGHALDSSFQRSIGYVQQQDVHLETTTVREALQFSAYLRQSNKISKKEKDDYVDYVIDLLEMTDYADALVGVAGEGLNVEQRKRLTIGVELVAKPKLLLFLDEPTSGLDSQTAWSICKLMRKLADHGQAILCTIHQPSALIMAEFDRLLFLQKGGRTAYFGELGENCQTMINYFEKYGANPCPKEANPAEWMLQVVGAAPGSHAKQDYFEVWRNSSEYQAVKEEINRMEAELSKLPRDNDPEALLKYAAPLWKQYLLVSWRTIVQDWRSPGYIYSKLILVISSSLFIGFSFFKSKNNLQGLQSQMLAVFMFFVPFTTFIDQMLPYFVKHRAVYEVREAPSRTFSWFAFIAGQITSEIPFQIVVGTISYFCWYYPVGLYANAEPTDSVNSRGVLMWMLLTAFYVYTSTMGQLAISFNELIDNAANLATTLFTLCLMFCGVLAGPNVIPGFWIFMYRCNPFTYLIQAILSTGLANAKVTCAPRELVTLKPPMGETCSSFIGPYTEAAGGYFSTNSDGTCSVCRIDSTNQFLESINALFSQRWRNFGIFVAFIGINIILTIFFYWLARVPKGNREKKMKK
  
Inhibitor
Name:
BDBM91522
Synonyms:
MLS000621984 | N-(2-cyclohex-1-en-1-ylethyl)-4-{[(2-thioxo-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexanecarboxamide | N-[2-(1-cyclohexenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide | N-[2-(cyclohexen-1-yl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide | N-[2-(cyclohexen-1-yl)ethyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide | SMR000310911 | cid_4112671
Type:
Small organic molecule
Emp. Form.:
C24H32N4OS
Mol. Mass.:
424.602
SMILES:
O=C(NCCC1=CCCCC1)C1CCC(CNc2[nH]c(=S)nc3ccccc23)CC1 |t:5,(8.41,-3.17,;7.08,-2.4,;5.75,-3.17,;5.75,-4.71,;4.41,-5.48,;4.41,-7.02,;5.75,-7.79,;5.75,-9.33,;4.41,-10.1,;3.08,-9.33,;3.08,-7.79,;7.08,-.86,;5.75,-.09,;5.75,1.45,;7.08,2.22,;7.08,3.76,;8.41,4.53,;8.41,6.07,;7.08,6.84,;7.08,8.38,;5.75,9.15,;8.41,9.15,;9.75,8.38,;11.13,9.2,;12.52,8.41,;12.52,6.81,;11.13,6.01,;9.75,6.84,;8.41,1.45,;8.41,-.09,)|
Structure:
Search PDB for entries with ligand similarity: