BDBM18140 (2S,3S)-2-amino-3-methylpentanoic acid::Isoleucine::L-[14C]Isoleucine
SMILES: CC[C@H](C)[C@H](N)C(O)=O
InChI Key: InChIKey=AGPKZVBTJJNPAG-WHFBIAKZSA-N
PDB links: 5 PDB IDs match this monomer. 22 PDB IDs contain this monomer as substructures. 22 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Proton-coupled amino acid transporter 1 (Homo sapiens (Human)) | BDBM18140 ((2S,3S)-2-amino-3-methylpentanoic acid | Isoleucin...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.70E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL | Assay Description Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting | Bioorg Med Chem 19: 6409-18 (2011) Checked by Author Article DOI: 10.1016/j.bmc.2011.08.058 BindingDB Entry DOI: 10.7270/Q2NZ882D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Large neutral amino acids transporter small subunit 1 (Homo sapiens (Human)) | BDBM18140 ((2S,3S)-2-amino-3-methylpentanoic acid | Isoleucin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 ... | J Med Chem 61: 7358-7373 (2018) Article DOI: 10.1021/acs.jmedchem.8b01007 BindingDB Entry DOI: 10.7270/Q2XK8J66 | |||||||||||
More data for this Ligand-Target Pair |