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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468469
Substrate
n/a
Meas. Tech.
Homogeneous Time-Resolved Fluorescence (HERF)
IC50
<0.1±n/a nM
Citation
 Lu, L; Zhu, W; Qian, D; Xiao, K Immunomodulator compounds and methods of use US Patent  US10806785 Publication Date 10/20/2020 
Target
Name:
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Synonyms:
PD-1/PD-L1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Programmed cell death protein 1 [25-167]
Synonyms:
PD1 | PDCD1 | PDCD1_HUMAN | Programmed cell death protein 1 (25-167) | Programmed cell death protein 1 (aa25-167) | Protein PD-1 | hPD-1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
15954.64
Organism:
Homo sapiens (Human)
Description:
Q15116 (aa25-167)
Residue:
143
Sequence:
LDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQ
  
Component 2
Name:
Programmed cell death 1 ligand 1 [19-238]
Synonyms:
B7H1 | CD274 | PD-L1 | PD1L1_HUMAN | PDCD1 ligand 1 | PDCD1L1 | PDCD1LG1 | PDL1 | Programmed cell death 1 ligand 1 (aa19-238) | Programmed death ligand 1 | hPD-L1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25191.31
Organism:
Homo sapiens (Human)
Description:
Q9NZQ7 (aa19-238)
Residue:
220
Sequence:
FTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNER
  
Inhibitor
Name:
BDBM468469
Synonyms:
4-(2-((2'- chloro- 2-methyl-3'- (1-methyl-5- (tetrahydro- 2H- pyran-4-yl)- 4,5,6,7- tetrahydro- 1H-imidazo [4,5-c] pyridine-2- carboxa- mido)-[1,1'- biphenyl]- 3-yl) carbamoyl)- 1-methyl- 1,4,6,7- tetrahydro- 5H-imidazo [4,5-c] pyridin- 5-yl) cyclohexane- 1-carboxylic acid | US10806785, Example 111
Type:
Small organic molecule
Emp. Form.:
C41H49ClN8O5
Mol. Mass.:
769.331
SMILES:
Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCC(CC2)C(O)=O)cccc1-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)c1Cl |(-1.23,-.59,;-1.23,.95,;-2.56,1.72,;-3.9,.95,;-5.23,1.72,;-5.23,3.26,;-6.57,.95,;-6.73,-.58,;-8.23,-.9,;-9,-2.24,;-10.54,-2.24,;-11.31,-.9,;-10.54,.43,;-9,.43,;-7.97,1.58,;-8.74,2.91,;-11.31,-3.57,;-12.85,-3.57,;-13.62,-4.9,;-12.85,-6.24,;-11.31,-6.24,;-10.54,-4.9,;-13.62,-7.57,;-15.16,-7.57,;-12.85,-8.91,;-2.56,3.26,;-1.23,4.03,;.1,3.26,;.1,1.72,;1.44,.95,;1.44,-.59,;2.77,-1.36,;4.1,-.59,;4.1,.95,;5.44,1.72,;6.77,.95,;6.77,-.59,;8.11,1.72,;8.27,3.25,;9.77,3.57,;10.54,4.9,;12.08,4.9,;12.85,3.57,;12.08,2.24,;10.54,2.24,;9.51,1.09,;10.28,-.24,;12.85,6.24,;14.39,6.24,;15.16,7.57,;14.39,8.91,;12.85,8.91,;12.08,7.57,;2.77,1.72,;2.77,3.26,)|
Structure:
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