Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T35809 | Target Info | |||
| Target Name | Bromodomain-containing protein 1 (BRD1) | ||||
| Synonyms | Bromodomain and PHD finger-containing protein 2; BRPF2; BRL; BR140-like protein | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BRD1 | ||||
| Biochemical Class | Bromodomain | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-(1-benzylpiperidin-4-yl)acetamide | Ligand Info | |||
| Canonical SMILES | CC(=O)NC1CCN(CC1)CC2=CC=CC=C2 | ||||
| InChI | 1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17) | ||||
| InChIKey | PXKZVCOKJFOTQY-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 12641850 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5POJ PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10941a | ||||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | Yes | [1] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 GLE
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| PDB ID: 5POF PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10941a | ||||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | Yes | [1] |
| PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVDSI141 G
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun. 2017 Apr 24;8:15123. | ||||
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