| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Solute carrier family 22 member 3 |
|---|
| Ligand | BDBM517 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_934315 (CHEMBL2320301) |
|---|
| IC50 | >500000±n/a nM |
|---|
| Citation |  Wittwer, MB; Zur, AA; Khuri, N; Kido, Y; Kosaka, A; Zhang, X; Morrissey, KM; Sali, A; Huang, Y; Giacomini, KM Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling. J Med Chem56:781-95 (2013) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Solute carrier family 22 member 3 |
|---|
| Name: | Solute carrier family 22 member 3 |
|---|
| Synonyms: | EMT | EMTH | Extraneuronal monoamine transporter | OCT3 | Organic cation transporter 3 | S22A3_HUMAN | SLC22A3 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 61292.57 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | ChEMBL_934315 |
|---|
| Residue: | 556 |
|---|
| Sequence: | MPSFDEALQRVGEFGRFQRRVFLLLCLTGVTFAFLFVGVVFLGTQPDHYWCRGPSAAALA
ERCGWSPEEEWNRTAPASRGPEPPERRGRCQRYLLEAANDSASATSALSCADPLAAFPNR
SAPLVPCRGGWRYAQAHSTIVSEFDLVCVNAWMLDLTQAILNLGFLTGAFTLGYAADRYG
RIVIYLLSCLGVGVTGVVVAFAPNFPVFVIFRFLQGVFGKGTWMTCYVIVTEIVGSKQRR
IVGIVIQMFFTLGIIILPGIAYFIPNWQGIQLAITLPSFLFLLYYWVVPESPRWLITRKK
GDKALQILRRIAKCNGKYLSSNYSEITVTDEEVSNPSFLDLVRTPQMRKCTLILMFAWFT
SAVVYQGLVMRLGIIGGNLYIDFFISGVVELPGALLILLTIERLGRRLPFAASNIVAGVA
CLVTAFLPEGIAWLRTTVATLGRLGITMAFEIVYLVNSELYPTTLRNFGVSLCSGLCDFG
GIIAPFLLFRLAAVWLELPLIIFGILASICGGLVMLLPETKGIALPETVDDVEKLGSPHS
CKCGRNKKTPVSRSHL
|
|
|
|---|
| BDBM517 |
|---|
| n/a |
|---|
| Name | BDBM517 |
|---|
| Synonyms: | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide | CHEMBL115 | Crixivan | INDINAVIR SULFATE | Indinavir | Indinavir, 19 | L-735, 524 | MK639 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C36H47N5O4 |
|---|
| Mol. Mass. | 613.7895 |
|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9| |
|---|
| Structure | 
|
|---|
Search and Browse
