Reaction Details Report a problem with these data
Target
Splicing factor 45
Ligand
BDBM50548175
Substrate
n/a
Meas. Tech.
ChEMBL_2020029 (CHEMBL4673842)
Kd
750±n/a nM
Citation
 Jagtap, PK; Garg, D; Kapp, TG; Will, CL; Demmer, O; Lührmann, R; Kessler, H; Sattler, M Rational Design of Cyclic Peptide Inhibitors of U2AF Homology Motif (UHM) Domains To Modulate Pre-mRNA Splicing. J Med Chem 59:10190-10197 (2016) [PubMed]  Article 
Target
Name:
Splicing factor 45
Synonyms:
45 kDa-splicing factor | RBM17 | RNA-binding motif protein 17 | SPF45 | SPF45_HUMAN | Splicing factor 45
Type:
PROTEIN
Mol. Mass.:
44957.98
Organism:
Homo sapiens
Description:
ChEMBL_120106
Residue:
401
Sequence:
MSLYDDLGVETSDSKTEGWSKNFKLLQSQLQVKKAALTQAKSQRTKQSTVLAPVIDLKRGGSSDDRQIVDTPPHVAAGLKDPVPSGFSAGEVLIPLADEYDPMFPNDYEKVVKRQREERQRQRELERQKEIEEREKRRKDRHEASGFARRPDPDSDEDEDYERERRKRSMGGAAIAPPTSLVEKDKELPRDFPYEEDSRPRSQSSKAAIPPPVYEEQDRPRSPTGPSNSFLANMGGTVAHKIMQKYGFREGQGLGKHEQGLSTALSVEKTSKRGGKIIVGDATEKDASKKSDSNPLTEILKCPTKVVLLRNMVGAGEVDEDLEVETKEECEKYGKVGKCVIFEIPGAPDDEAVRIFLEFERVESAIKAVVDLNGRYFGGRVVKACFYNLDKFRVLDLAEQV
  
Inhibitor
Name:
BDBM50548175
Synonyms:
CHEMBL4786448
Type:
Small organic molecule
Emp. Form.:
C42H65N15O12
Mol. Mass.:
972.0588
SMILES:
N[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC1=O)C(=O)NC(CCCCN=C(N)N)C(O)=O |r,wU:11.56,15.15,23.23,37.39,1.0,wD:48.50,(9.49,-28.07,;9.48,-29.61,;8.14,-30.37,;8.13,-31.91,;9.45,-32.69,;9.44,-34.23,;10.77,-35.01,;12.15,-34.25,;12.15,-32.71,;13.48,-35.02,;14.81,-34.25,;16.15,-35.02,;17.48,-34.25,;18.81,-35.02,;18.81,-36.56,;20.15,-34.25,;21.48,-35.02,;21.48,-36.56,;22.81,-37.33,;20.15,-37.33,;20.15,-32.71,;21.48,-31.94,;22.81,-32.71,;21.48,-30.4,;22.81,-29.63,;24.15,-30.4,;24.32,-31.92,;25.82,-32.24,;26.59,-30.91,;28.09,-30.59,;28.57,-29.13,;27.54,-27.98,;26.04,-28.31,;25.56,-29.76,;20.15,-29.63,;18.81,-30.4,;18.81,-31.94,;17.48,-29.63,;17.48,-28.09,;18.81,-27.32,;18.81,-25.78,;20.15,-25.01,;20.15,-23.47,;21.48,-22.7,;18.81,-22.7,;16.15,-30.4,;14.81,-29.63,;14.81,-28.09,;13.48,-30.4,;13.46,-28.86,;12.37,-27.76,;12.15,-29.63,;10.8,-30.39,;10.79,-31.93,;16.15,-36.56,;17.48,-37.33,;14.81,-37.33,;14.8,-38.88,;16.12,-39.66,;16.1,-41.19,;17.42,-41.98,;17.4,-43.52,;18.73,-44.3,;18.71,-45.84,;20.04,-46.63,;17.37,-46.6,;13.45,-39.64,;13.44,-41.18,;12.12,-38.85,)|
Structure:
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