Reaction Details |
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Target | Broad substrate specificity ATP-binding cassette transporter ABCG2 |
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Ligand | BDBM50260355 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1693601 (CHEMBL4044491) |
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IC50 | 4300±n/a nM |
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Citation | Namanja-Magliano, HA; Bohn, K; Agrawal, N; Willoughby, ME; Hrycyna, CA; Chmielewski, J Dual inhibitors of the human blood-brain barrier drug efflux transporters P-glycoprotein and ABCG2 based on the antiviral azidothymidine. Bioorg Med Chem25:5128-5132 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Broad substrate specificity ATP-binding cassette transporter ABCG2 |
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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: | MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKSGFLPCRKPVE
KEILSNINGIMKPGLNAILGPTGGGKSSLLDVLAARKDPSGLSGDVLINGAPRPANFKCN
SGYVVQDDVVMGTLTVRENLQFSAALRLATTMTNHEKNERINRVIQELGLDKVADSKVGT
QFIRGVSGGERKRTSIGMELITDPSILFLDEPTTGLDSSTANAVLLLLKRMSKQGRTIIF
SIHQPRYSIFKLFDSLTLLASGRLMFHGPAQEALGYFESAGYHCEAYNNPADFFLDIING
DSTAVALNREEDFKATEIIEPSKQDKPLIEKLAEIYVNSSFYKETKAELHQLSGGEKKKK
ITVFKEISYTTSFCHQLRWVSKRSFKNLLGNPQASIAQIIVTVVLGLVIGAIYFGLKNDS
TGIQNRAGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLP
MRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLL
MTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGN
NPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKKYS
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BDBM50260355 |
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n/a |
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Name | BDBM50260355 |
Synonyms: | CHEMBL2063071 |
Type | Small organic molecule |
Emp. Form. | C32H44N10O10 |
Mol. Mass. | 728.7528 |
SMILES | Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCCCCCCCCC(=O)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r| |
Structure |
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