Target Binding Site Detail
Target General Information | Top | ||||
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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 | ||||
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Ligand Name | N-Methylthieno[2,3-B]pyridine-2-Carboxamide | Ligand Info | |||
Canonical SMILES | CNC(=O)C1=CC2=C(S1)N=CC=C2 | ||||
InChI | 1S/C9H8N2OS/c1-10-8(12)7-5-6-3-2-4-11-9(6)13-7/h2-5H,1H3,(H,10,12) | ||||
InChIKey | UKSXMWMDJAZHOM-UHFFFAOYSA-N | ||||
PubChem Compound ID | 124220767 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 5POV PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11063a | ||||||
Method | X-ray diffraction | Resolution | 1.57 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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PDB ID: 5POG PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11063a | ||||||
Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | Yes | [1] |
PDB Sequence |
SMEQVAMELR
31 LTELTRLLRS41 VLDQLQDKDP51 ARIFAQPVSL61 KEVPDYLDHI71 KHPMDFATMR 81 KRLEAQGYKN91 LHEFEEDFDL101 IIDNCMKYNA111 RDTVFYRAAV121 RLRDQGGVVL 131 RQARREVD
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References | Top | ||||
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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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