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Target
AP-1 complex subunit beta-1
Ligand
BDBM50540841
Substrate
n/a
Meas. Tech.
ChEMBL_1983104 (CHEMBL4616366)
Kd
2100±n/a nM
Citation
 Brancaccio, D; Di Maro, S; Cerofolini, L; Giuntini, S; Fragai, M; Luchinat, C; Tomassi, S; Limatola, A; Russomanno, P; Merlino, F; Novellino, E; Carotenuto, A HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-Protein Interactions by NMR. ACS Med Chem Lett 11:1047-1053 (2020) [PubMed]  Article 
Target
Name:
AP-1 complex subunit beta-1
Synonyms:
ADTB1 | AP-1 complex subunit beta-1 | AP1B1 | AP1B1_HUMAN | Adaptor protein complex AP-1 subunit beta-1 | Adaptor-related protein complex 1 subunit beta-1 | BAM22 | Beta-1-adaptin | Beta-adaptin 1 | CLAPB2 | Clathrin assembly protein complex 1 beta large chain | Golgi adaptor HA1/AP1 adaptin beta subunit
Type:
PROTEIN
Mol. Mass.:
104608.26
Organism:
Homo sapiens
Description:
ChEMBL_119917
Residue:
949
Sequence:
MTDSKYFTTTKKGEIFELKAELNSDKKEKKKEAVKKVIASMTVGKDVSALFPDVVNCMQTDNLELKKLVYLYLMNYAKSQPDMAIMAVNTFVKDCEDPNPLIRALAVRTMGCIRVDKITEYLCEPLRKCLKDEDPYVRKTAAVCVAKLHDINAQLVEDQGFLDTLKDLISDSNPMVVANAVAALSEIAESHPSSNLLDLNPQSINKLLTALNECTEWGQIFILDCLANYMPKDDREAQSICERVTPRLSHANSAVVLSAVKVLMKFMEMLSKDLDYYGTLLKKLAPPLVTLLSAEPELQYVALRNINLIVQKRPEILKHEMKVFFVKYNDPIYVKLEKLDIMIRLASQANIAQVLAELKEYATEVDVDFVRKAVRAIGRCAIKVEQSAERCVSTLLDLIQTKVNYVVQEAIVVIKDIFRKYPNKYESVIATLCENLDSLDEPEARAAMIWIVGEYAERIDNADELLESFLEGFHDESTQVQLQLLTAIVKLFLKKPTETQELVQQVLSLATQDSDNPDLRDRGYIYWRLLSTDPVAAKEVVLAEKPLISEETDLIEPTLLDELICYIGTLASVYHKPPSAFVEGGRGVVHKSLPPRTASSESAESPETAPTGAPPGEQPDVIPAQGDLLGDLLNLDLGPPVSGPPLATSSVQMGAVDLLGGGLDSLMGDEPEGIGGTNFVAPPTAAVPANLGAPIGSGLSDLFDLTSGVGTLSGSYVAPKAVWLPAMKAKGLEISGTFTRQVGSISMDLQLTNKALQVMTDFAIQFNRNSFGLAPATPLQVHAPLSPNQTVEISLPLSTVGSVMKMEPLNNLQVAVKNNIDVFYFSTLYPLHILFVEDGKMDRQMFLATWKDIPNENEAQFQIRDCPLNAEAASSKLQSSNIFTVAKRNVEGQDMLYQSLKLTNGIWVLAELRIQPGNPSCTDLELSLKCRAPEVSQHVYQAYETILKN
  
Inhibitor
Name:
BDBM50540841
Synonyms:
CHEMBL4647346
Type:
Small organic molecule
Emp. Form.:
C103H161N29O36S
Mol. Mass.:
2413.618
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Structure:
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