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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468396
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:
BDBM468396
Synonyms:
4-(2-(2′-chloro-3′-(1,5-dimethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxamido)-2-methylbiphenyl-3-ylcarbamoyl)-1-methyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-1-methylcyclohexanecarboxylic acid | US10806785, Example 35
Type:
Small organic molecule
Emp. Form.:
C38H45ClN8O4
Mol. Mass.:
713.268
SMILES:
CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCc4n3C)C3CCC(C)(CC3)C(O)=O)c1C)n2C |(13.6,7.53,;12.83,6.19,;13.6,4.86,;12.83,3.53,;11.29,3.53,;10.52,4.86,;11.29,6.19,;9.01,4.54,;8.85,3.01,;7.52,2.24,;7.52,.7,;6.18,3.01,;4.85,2.24,;4.85,.7,;3.51,-.07,;2.18,.7,;2.18,2.24,;3.51,3.01,;3.51,4.55,;.85,3.01,;.85,4.55,;-.49,5.32,;-1.82,4.55,;-1.82,3.01,;-3.15,2.24,;-4.49,3.01,;-4.49,4.55,;-5.82,2.24,;-5.98,.71,;-7.49,.39,;-8.26,-.95,;-9.8,-.95,;-10.57,.39,;-9.8,1.72,;-8.26,1.72,;-7.23,2.86,;-7.55,4.37,;-10.57,-2.28,;-12.11,-2.28,;-12.88,-3.62,;-12.11,-4.95,;-13.6,-5.35,;-10.57,-4.95,;-9.8,-3.62,;-11.71,-6.44,;-12.8,-7.53,;-10.22,-6.84,;-.49,2.24,;-.49,.7,;10.26,2.38,;10.58,.87,)|
Structure:
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