Reaction Details |
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Target | Broad substrate specificity ATP-binding cassette transporter ABCG2 |
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Ligand | BDBM50061306 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2215565 (CHEMBL5128697) |
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IC50 | 12500±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 |
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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BDBM50061306 |
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n/a |
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Name | BDBM50061306 |
Synonyms: | (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide; compound with methanesulfonic acid | AG-1343 | CHEMBL1205 | NELFINAVIR MESYLATE | Nelfinavir | Viracept | cmdc.202100576, 24h |
Type | Small organic molecule |
Emp. Form. | C32H45N3O4S |
Mol. Mass. | 567.782 |
SMILES | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r| |
Structure |
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