Reaction Details | |||
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Target | Hepatitis A virus cellular receptor 2 | ||
Ligand | BDBM50579450 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2135392 (CHEMBL4845002) | ||
Ki | 2300±n/a nM | ||
Citation | Rietz, TA; Teuscher, KB; Mills, JJ; Gogliotti, RD; Lepovitz, LT; Scaggs, WR; Yoshida, K; Luong, K; Lee, T; Fesik, SW Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J Med Chem64:14757-14772 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Hepatitis A virus cellular receptor 2 | |||
Name: | Hepatitis A virus cellular receptor 2 | ||
Synonyms: | CD_antigen=CD366 | HAVCR2 | HAVR2_HUMAN | HAVcr-2 | Hepatitis A virus cellular receptor 2 | T-cell immunoglobulin and mucin domain-containing protein 3 | T-cell immunoglobulin mucin receptor 3 | T-cell membrane protein 3 | TIM-3 | TIM3 | TIMD-3 | TIMD3 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 33391.41 | ||
Organism: | Homo sapiens | ||
Description: | ChEMBL_119972 | ||
Residue: | 301 | ||
Sequence: |
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BDBM50579450 | |||
n/a | |||
Name | BDBM50579450 | ||
Synonyms: | CHEMBL4876721 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H13ClN6O | ||
Mol. Mass. | 364.788 | ||
SMILES | Cc1nc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-c1c(C)ccc2[nH]ncc12 |(14.09,-43.85,;13.41,-45.23,;11.92,-45.48,;11.7,-46.97,;10.37,-47.75,;9.03,-46.99,;7.7,-47.76,;7.7,-49.3,;6.36,-50.07,;9.03,-50.08,;10.36,-49.31,;11.7,-50.08,;13.05,-49.31,;14.39,-50.09,;13.05,-47.64,;14.1,-46.56,;6.37,-46.99,;6.37,-45.45,;7.71,-44.68,;5.04,-44.68,;3.71,-45.45,;3.71,-47,;2.58,-48.03,;3.21,-49.42,;4.73,-49.25,;5.04,-47.75,)| | ||
Structure |