Receptor
PDB id Resolution Class Description Source Keywords
3UVD 1.85 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN TRANSCRIPTION BRG1 (SMARCA4) IN COMPLEX WITH N-METHYL-2-PYRROLIDONE HOMO SAPIENS BROMODOMAIN ATP-DEPENDENT HELICASE SMARCA4 BRG1-ASSOCIATED190A BAF190A MITOTIC GROWTH AND TRANSCRIPTION ACTIVATOR BRG-1 PROTEIN BRAHMA HOMOLOG 1 SNF2-BETA SWI/SNF-RELATEDASSOCIATED ACTIN-DEPENDENT REGULATOR OF CHROMATIN SUBFAMILY4 STRUCTURAL GENOMICS CONSORTIUM SGC TRANSCRIPTION
Ref.: HISTONE RECOGNITION AND LARGE-SCALE STRUCTURAL ANAL THE HUMAN BROMODOMAIN FAMILY. CELL(CAMBRIDGE,MASS.) V. 149 214 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MB3 A:1;
Valid;
none;
submit data
99.131 C5 H9 N O CN1CC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UVD 1.85 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN TRANSCRIPTION BRG1 (SMARCA4) IN COMPLEX WITH N-METHYL-2-PYRROLIDONE HOMO SAPIENS BROMODOMAIN ATP-DEPENDENT HELICASE SMARCA4 BRG1-ASSOCIATED190A BAF190A MITOTIC GROWTH AND TRANSCRIPTION ACTIVATOR BRG-1 PROTEIN BRAHMA HOMOLOG 1 SNF2-BETA SWI/SNF-RELATEDASSOCIATED ACTIN-DEPENDENT REGULATOR OF CHROMATIN SUBFAMILY4 STRUCTURAL GENOMICS CONSORTIUM SGC TRANSCRIPTION
Ref.: HISTONE RECOGNITION AND LARGE-SCALE STRUCTURAL ANAL THE HUMAN BROMODOMAIN FAMILY. CELL(CAMBRIDGE,MASS.) V. 149 214 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3UVD - MB3 C5 H9 N O CN1CCCC1=O
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3UVD - MB3 C5 H9 N O CN1CCCC1=O
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5II1 - 6BL C11 H8 N2 O2 Cc1c-2c([n....
2 5HRV - 64C C12 H10 N2 O2 CCc1c-2c([....
3 3MB4 - MB3 C5 H9 N O CN1CCCC1=O
4 5FH6 - 5XM C17 H21 N3 O c1ccc2c(c1....
5 5II2 - LU2 C15 H10 O6 c1cc(c(cc1....
6 5FH8 Kd = 170 nM 5XK C17 H19 Cl N2 O CCC(CC)Cc1....
7 5IID - 6BK C15 H10 O5 c1cc(c2c(c....
8 5HRW - 64E C13 H12 N2 O2 CCCc1c-2c(....
9 5HRX - 64F C14 H14 N2 O2 CCCCc1c-2c....
10 5FH7 Kd = 137 nM 5XL C14 H14 Cl N3 O CN(C)Cc1cc....
11 3UVD - MB3 C5 H9 N O CN1CCCC1=O
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MB3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MB3 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UVD; Ligand: MB3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3uvd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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