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 | 6-Amino-1-Methylquinolin-2(1h)-One | Ligand Info | |||
| Canonical SMILES | CN1C2=C(C=CC1=O)C=C(C=C2)N | ||||
| InChI | 1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3 | ||||
| InChIKey | WGTBBJJGFRSXDZ-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 11745122 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5POE PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10188a and N07807b | ||||||
| Method | X-ray diffraction | Resolution | 1.52 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: 5POD PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07807b | ||||||
| Method | X-ray diffraction | Resolution | 1.56 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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| 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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