Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1
Ligand
BDBM50466080
Substrate
n/a
Meas. Tech.
ChEMBL_1791472 (CHEMBL4263391)
IC50
5.2±n/a nM
Citation
 Acúrcio, RC; Scomparin, A; Conniot, J; Salvador, JAR; Satchi-Fainaro, R; Florindo, HF; Guedes, RC Structure-Function Analysis of Immune Checkpoint Receptors to Guide Emerging Anticancer Immunotherapy. J Med Chem 61:10957-10975 (2018) [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:
BDBM50466080
Synonyms:
CHEMBL4288470
Type:
Small organic molecule
Emp. Form.:
C83H118N22O17S
Mol. Mass.:
1728.027
SMILES:
CCCC[C@@H]1N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CN(C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CSCC(NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)NCC(N)=O |r|
Structure:
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