Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T41145 | Target Info | |||
| Target Name | Bromodomain and PHD finger containing 1 (BRPF1) | ||||
| Synonyms | Protein Br140; Peregrin; Bromodomain and PHD finger-containing protein 1; BR140 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BRPF1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | Ligand Info | |||
| Canonical SMILES | CC1CC(CN(C1)CC2=CSC(=N2)NC(=O)C3=C(N=C(O3)C)C)C | ||||
| InChI | 1S/C17H24N4O2S/c1-10-5-11(2)7-21(6-10)8-14-9-24-17(19-14)20-16(22)15-12(3)18-13(4)23-15/h9-11H,5-8H2,1-4H3,(H,19,20,22)/t10-,11+ | ||||
| InChIKey | CNBKQIUIQRBCJT-PHIMTYICSA-N | ||||
| PubChem Compound ID | 95904878 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6EKQ Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2 | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
SMEMQLTPFL
634 ILLRKTLEQL644 QEKDTGNIFS654 EPVPLSEVPD664 YLDHIKKPMD674 FFTMKQNLEA 684 YRYLNFDDFE694 EDFNLIVSNC704 LKYNAKDTIF714 YRAAVRLREQ724 GGAVLRQARR 734 QAEKMG
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| PDB ID: 5OWA Crystal structure of the human BRPF1 bromodomain in complex with BZ054 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
LTPFLILLRK
639 TLEQLQEKDT649 GNIFSEPVPL659 SEVPDYLDHI669 KKPMDFFTMK679 QNLEAYRYLN 689 FDDFEEDFNL699 IVSNCLKYNA709 KDTIFYRAAV719 RLREQGGAVL729 RQARRQAEKM 739
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem. 2018 Jul 15;155:337-352. | ||||
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