| Reaction Details |
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 | Report a problem with these data |
| Target | Broad substrate specificity ATP-binding cassette transporter ABCG2 |
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| Ligand | BDBM10849 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2215590 (CHEMBL5128722) |
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| IC50 | 14000000±n/a nM |
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| Citation |  Zattoni, IF; Delabio, LC; Dutra, JP; Kita, DH; Scheiffer, G; Hembecker, M; Pereira, GDS; Moure, VR; Valdameri, G Targeting breast cancer resistance protein (BCRP/ABCG2): Functional inhibitors and expression modulators. Eur J Med Chem237:0 (2022) [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 |
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| 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 |
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| Type: | Multi-pass membrane protein; monomer or homodimer; disulfide-linked |
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| Mol. Mass.: | 72329.48 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9UNQ0 |
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| Residue: | 655 |
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| Sequence: | MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKSGFLPCRKPVE
KEILSNINGIMKPGLNAILGPTGGGKSSLLDVLAARKDPSGLSGDVLINGAPRPANFKCN
SGYVVQDDVVMGTLTVRENLQFSAALRLATTMTNHEKNERINRVIQELGLDKVADSKVGT
QFIRGVSGGERKRTSIGMELITDPSILFLDEPTTGLDSSTANAVLLLLKRMSKQGRTIIF
SIHQPRYSIFKLFDSLTLLASGRLMFHGPAQEALGYFESAGYHCEAYNNPADFFLDIING
DSTAVALNREEDFKATEIIEPSKQDKPLIEKLAEIYVNSSFYKETKAELHQLSGGEKKKK
ITVFKEISYTTSFCHQLRWVSKRSFKNLLGNPQASIAQIIVTVVLGLVIGAIYFGLKNDS
TGIQNRAGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLP
MRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLL
MTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGN
NPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKKYS
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| BDBM10849 |
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| n/a |
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| Name | BDBM10849 |
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| Synonyms: | 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione | CHEMBL113 | Caffeine (1,3,7-trimethylxanthine) | caffeine |
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| Type | Small organic molecule |
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| Emp. Form. | C8H10N4O2 |
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| Mol. Mass. | 194.1906 |
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| SMILES | Cn1cnc2n(C)c(=O)n(C)c(=O)c12 |
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| Structure | 
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