Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1
Ligand
BDBM50587705
Substrate
n/a
Meas. Tech.
ChEMBL_2184680 (CHEMBL5096762)
IC50
1.0±n/a nM
Citation
 Pan, C; Yang, H; Lu, Y; Hu, S; Wu, Y; He, Q; Dong, X Recent advance of peptide-based molecules and nonpeptidic small-molecules modulating PD-1/PD-L1 protein-protein interaction or targeting PD-L1 protein degradation. Eur J Med Chem 213:0 (2021) [PubMed] 
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:
BDBM50587705
Synonyms:
CHEMBL5171101
Type:
Small organic molecule
Emp. Form.:
C89H120N22O21S
Mol. Mass.:
1866.105
SMILES:
CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCN(C2)C(=O)[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)NCC(N)=O)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: