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Target
Broad substrate specificity ATP-binding cassette transporter ABCG2
Ligand
BDBM32625
Substrate
BDBM32618
Meas. Tech.
Screening Assay for ABCG2 Inhibitors
pH
7.4±n/a
Temperature
310.15±n/a K
Comments
Max activity (% FTC)=23.8 +/- 1.2.
Citation
 Henrich, CJ; Robey, RW; Takada, K; Bokesch, HR; Bates, SE; Shukla, S; Ambudkar, SV; McMahon, JB; Gustafson, KR Botryllamides: Natural Product Inhibitors of ABCG2. ACS Chem Biol 4:637-47 (2009) [PubMed]  Article 
Target
Name:
Broad substrate specificity ATP-binding cassette transporter ABCG2
Synonyms:
ABCG2 | ABCG2_HUMAN | ABCP | ATP-Binding Cassette Transporter ABCG2 | ATP-binding cassette sub-family G member 2 | ATP-binding cassette transporter (ABCG2) | ATP-binding cassette, sub-family G, member 2 | BCRP | BCRP1 | Breast cancer resistance protein | CDw338 | MXR | Mitoxantrone resistance-associated protein | Placenta-specific ATP-binding cassette transporter | Urate exporter
Type:
Multi-pass membrane protein; monomer or homodimer; disulfide-linked
Mol. Mass.:
72329.48
Organism:
Homo sapiens (Human)
Description:
Q9UNQ0
Residue:
655
Sequence:
MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKSGFLPCRKPVEKEILSNINGIMKPGLNAILGPTGGGKSSLLDVLAARKDPSGLSGDVLINGAPRPANFKCNSGYVVQDDVVMGTLTVRENLQFSAALRLATTMTNHEKNERINRVIQELGLDKVADSKVGTQFIRGVSGGERKRTSIGMELITDPSILFLDEPTTGLDSSTANAVLLLLKRMSKQGRTIIFSIHQPRYSIFKLFDSLTLLASGRLMFHGPAQEALGYFESAGYHCEAYNNPADFFLDIINGDSTAVALNREEDFKATEIIEPSKQDKPLIEKLAEIYVNSSFYKETKAELHQLSGGEKKKKITVFKEISYTTSFCHQLRWVSKRSFKNLLGNPQASIAQIIVTVVLGLVIGAIYFGLKNDSTGIQNRAGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKKYS
  
Inhibitor
Name:
BDBM32625
Synonyms:
Botryllamide H, 8 | Botryllamide J, 10
Type:
Small organic molecule
Emp. Form.:
C18H14N2O4
Mol. Mass.:
322.3148
SMILES:
Oc1ccc(C=CNC(=O)C(=O)Cc2cccc(O)c2C#N)cc1 |w:5.4|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM32618
Synonyms:
NSC75783 | PhA | pheophorbide a
Type:
n/a
Emp. Form.:
C35H36N4O5
Mol. Mass.:
592.6841
SMILES:
CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c4c(C(=O)OC)c(O)c5c(C)c(cc1[nH]2)nc45)c(C)c3C=C
Structure:
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