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Target
Broad substrate specificity ATP-binding cassette transporter ABCG2
Ligand
BDBM50226181
Substrate
n/a
Meas. Tech.
ChEMBL_836761 (CHEMBL2075183)
IC50
25000±n/a nM
Citation
 Gedeon, C; Behravan, J; Koren, G; Piquette-Miller, M Transport of glyburide by placental ABC transporters: implications in fetal drug exposure. Placenta 27:1096-102 (2006) [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:
BDBM50226181
Synonyms:
(3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamido)-2-oxo-2H-chromen-7-yloxy)-3-methoxy-2,2-dimethyl-tetrahydro-2H-pyran-4-yl carbamate | (3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamido)-8-methyl-2-oxo-2H-chromen-7-yloxy)-3-methoxy-2,2-dimethyl-tetrahydro-2H-pyran-4-yl carbamate | CHEMBL36506 | Carbamic acid (3R,4S,5R,6R)-5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | Carbamic acid (3R,4S,5R,6R)-5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(4-methyl-pent-3-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | Carbamic acid 5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | Carbamic acid 5-hydroxy-6-{4-hydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-benzoylamino]-8-methyl-2-oxo-2H-chromen-7-yloxy}-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester(Novobiocin) | NOVOBIOCIN
Type:
Small organic molecule
Emp. Form.:
C31H36N2O11
Mol. Mass.:
612.6243
SMILES:
[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Structure:
Search PDB for entries with ligand similarity: