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Target
Programmed cell death 1 ligand/protein 1
Ligand
BDBM50605273
Substrate
n/a
Meas. Tech.
ChEMBL_2250882 (CHEMBL5165092)
IC50
4.0±n/a nM
Citation
 Le Biannic, R; Magnez, R; Klupsch, F; Leleu-Chavain, N; Thiroux, B; Tardy, M; El Bouazzati, H; Dezitter, X; Renault, N; Vergoten, G; Bailly, C; Quesnel, B; Thuru, X; Millet, R Pyrazolones as inhibitors of immune checkpoint blocking the PD-1/PD-L1 interaction. Eur J Med Chem 236:0 (2022) [PubMed] 
Target
Name:
Programmed cell death 1 ligand/protein 1
Synonyms:
PD-1/PD-L1 | Programmed cell death protein 1/Programmed cell death 1 ligand 1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Programmed cell death protein 1
Synonyms:
CD_antigen=CD279 | PD1 | PDCD1 | PDCD1_HUMAN | Programmed cell death protein 1 | Protein PD-1 | hPD-1
Type:
PROTEIN
Mol. Mass.:
31650.07
Organism:
Homo sapiens
Description:
ChEMBL_108437
Residue:
288
Sequence:
MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL
  
Component 2
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:
BDBM50605273
Synonyms:
CHEMBL5194902
Type:
Small organic molecule
Emp. Form.:
C18H21N3O
Mol. Mass.:
295.3788
SMILES:
O=C1CC(=NN1c1ccccn1)C12CC3CC(CC(C3)C1)C2 |c:3,TLB:3:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:12.21.13,20:12:15:19.17.18|
Structure:
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