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Target
Programmed cell death 1 ligand 1
Ligand
BDBM50535768
Substrate
n/a
Meas. Tech.
ChEMBL_1931331 (CHEMBL4434582)
Kd
0.290000±n/a nM
Citation
 Kawashita, S; Aoyagi, K; Yamanaka, H; Hantani, R; Naruoka, S; Tanimoto, A; Hori, Y; Toyonaga, Y; Fukushima, K; Miyazaki, S; Hantani, Y Symmetry-based ligand design and evaluation of small molecule inhibitors of programmed cell death-1/programmed death-ligand 1 interaction. Bioorg Med Chem Lett 29:2464-2467 (2019) [PubMed]  Article 
Target
Name:
Programmed cell death 1 ligand 1
Synonyms:
B7 homolog 1 | B7-H1 | B7H1 | B7H1 | CD274 | CD_antigen=CD274 | PD-L1 | PD1L1_HUMAN | PDCD1 ligand 1 | PDCD1L1 | PDCD1LG1 | PDL1 | Programmed cell death 1 ligand 1 | Programmed death ligand 1
Type:
PROTEIN
Mol. Mass.:
33278.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109807
Residue:
290
Sequence:
MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET
  
Inhibitor
Name:
BDBM50535768
Synonyms:
CHEMBL4460716
Type:
Small organic molecule
Emp. Form.:
C43H44N4O9
Mol. Mass.:
760.8309
SMILES:
Cc1c(COc2ccc(CN[C@H](CO)C(O)=O)cc2)cccc1-c1cccc(COc2ccc(CN[C@H](CO)C(O)=O)c(OCc3cncc(c3)C#N)c2)c1C |r|
Structure:
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