Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T76233 | Target Info | |||
| Target Name | Hepatitis A virus cellular receptor 2 (TIM3) | ||||
| Synonyms | TIMD3; TIMD-3; TIM3; TIM-3; T-cell membrane protein 3; T-cell immunoglobulin mucin receptor 3; T-cell immunoglobulin and mucin domain-containing protein 3; HAVcr-2; HAVCR2; CD366 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | Hepatitis A virus HAVCR2 | ||||
| Biochemical Class | Immunoglobulin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide | Ligand Info | |||||
| Structure Description | Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35) | PDB:7M3Z | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [1] |
| PDB Sequence |
SEVEYRAEVG
10 QNAYLPCFYT20 PAAPGNLVPV30 CWGKGACPVF40 ECGNVVLRTD50 ERDVNYWTSR 60 YWLNGDFRKG70 DVSLTIENVT80 LADSGIYCCR90 IQIPGIMNDE100 KFNLKLVIK |
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| Ligand Name: (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one | Ligand Info | |||||
| Structure Description | Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22) | PDB:7M3Y | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [1] |
| PDB Sequence |
SEVEYRAEVG
10 QNAYLPCFYT20 PAAPGNLVPV30 CWGKGACPVF40 ECGNVVLRTD50 ERDVNYWTSR 60 YWLNGDFRKG70 DVSLTIENVT80 LADSGIYCCR90 IQIPGIMNDE100 KFNLKLVIK |
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| Ligand Name: N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide | Ligand Info | |||||
| Structure Description | Structure of TIM-3 in complex with N-(4-(8-chloro-2-methyl-5-oxo-5,6-dihydro-[1,2,4]traizolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)-1H-imidazole-2-sulfonamide (compound 38) | PDB:7M41 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [1] |
| PDB Sequence |
SEVEYRAEVG
10 QNAYLPCFYT20 PAAPGNLVPV30 CWGKGACPVF40 ECGNVVLRTD50 ERDVNYWTSR 60 YWLNGDFRKG70 DVSLTIENVT80 LADSGIYCCR90 IQIPGIMNDE100 KFNLKLVIK |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J Med Chem. 2021 Oct 14;64(19):14757-14772. | ||||
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