Reaction Details |
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Target | Broad substrate specificity ATP-binding cassette transporter ABCG2 |
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Ligand | BDBM50030493 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1436373 (CHEMBL3389576) |
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IC50 | >25000±n/a nM |
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Citation | Fu, J; Tjandra, M; Becker, C; Bednarczyk, D; Capparelli, M; Elling, R; Hanna, I; Fujimoto, R; Furegati, M; Karur, S; Kasprzyk, T; Knapp, M; Leung, K; Li, X; Lu, P; Mergo, W; Miault, C; Ng, S; Parker, D; Peng, Y; Roggo, S; Rivkin, A; Simmons, RL; Wang, M; Wiedmann, B; Weiss, AH; Xiao, L; Xie, L; Xu, W; Yifru, A; Yang, S; Zhou, B; Sweeney, ZK Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition. J Med Chem57:8503-16 (2014) [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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BDBM50030493 |
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n/a |
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Name | BDBM50030493 |
Synonyms: | CHEMBL3344501 | US9566312, Compound 2.17.4 |
Type | Small organic molecule |
Emp. Form. | C69H125N13O13 |
Mol. Mass. | 1344.8101 |
SMILES | [H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r| |
Structure |
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