| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Sodium/bile acid cotransporter |
|---|
| Ligand | BDBM50576170 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2126560 (CHEMBL4835905) |
|---|
| IC50 | 38±n/a nM |
|---|
| Citation |  Liu, Y; Zhang, L; Yan, H; Wang, Z; Sun, G; Song, X; Zhou, Z; Peng, B; Yan, L; Wu, Q; Li, W; Qi, X Design of Dimeric Bile Acid Derivatives as Potent and Selective Human NTCP Inhibitors. J Med Chem64:5973-6007 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Sodium/bile acid cotransporter |
|---|
| Name: | Sodium/bile acid cotransporter |
|---|
| Synonyms: | Bile acid transporter | NTCP | NTCP_HUMAN | SLC10A1 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 38131.81 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | ChEMBL_838517 |
|---|
| Residue: | 349 |
|---|
| Sequence: | MEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKG
LAIALVAQYGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNLSI
VMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLIPCTIGIVLKSKR
PQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAMTPLLIATSSLMPFIGFLLGYVL
SALFCLNGRCRRTVSMETGCQNVQLCSTILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLL
IAIFWCYEKFKTPKDKTKMIYTAATTEETIPGALGNGTYKGEDCSPCTA
|
|
|
|---|
| BDBM50576170 |
|---|
| n/a |
|---|
| Name | BDBM50576170 |
|---|
| Synonyms: | CHEMBL4858170 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C53H85N5O5 |
|---|
| Mol. Mass. | 872.2725 |
|---|
| SMILES | [H][C@]12CC[C@@]3([H])[C@]4([H])[C@@H](O)C[C@]5([H])C[C@@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C)OCc1cn(nn1)[C@@H]1CC[C@@]3(C)[C@]([H])(C[C@H](O)[C@@]4([H])[C@]5([H])CC[C@]([H])([C@H](C)CCC(=O)NCCNC(=O)CC[C@H]2C)[C@@]5(C)CC[C@]34[H])C1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
