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Target
Programmed cell death 1 ligand/protein 1
Ligand
BDBM438774
Substrate
n/a
Meas. Tech.
Homogeneous Time-Resolved Fluorescence (HTRF) PD-1/PD-L1 Binding Assay
IC50
<5±n/a nM
Citation
 Wu, L; Xiao, K; Yao, W Heterocyclic compounds as immunomodulators US Patent  US11414433 Publication Date 8/16/2022 
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:
BDBM438774
Synonyms:
4-(2-(2-((2,2'-dichloro-3'-(5- (2-hydroxyethyl)-1-methyl- 4,5,6,7-tetrahydro-1H- imidazo[4,5-c]pyridine-2- carboxamido)-[1,1'- biphenyl]-3-yl)carbamoyl)- 1-methyl-1,4,6,7-tetrahydro- 5H-imidazo[4,5-c]pyridin- 5-yl)ethyl)bicyclo[2.2.1] heptane-1-carboxylic acid | US10618916, Example 15 | US10906920, Example 15 | US11414433, Example 15
Type:
Small organic molecule
Emp. Form.:
C40H46Cl2N8O5
Mol. Mass.:
789.75
SMILES:
Cn1c2CCN(CCO)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCC45CCC(CC4)(C5)C(O)=O)CCc3n2C)c1Cl
Structure:
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