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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468425
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:
BDBM468425
Synonyms:
US10806785, Example 69 | cis-4-((2-((2,2′-dichloro-3′-(1,5-dimethyl-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)methyl)cyclohexane-1-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C37H42Cl2N8O4
Mol. Mass.:
733.687
SMILES:
CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C |r,wU:33.34,36.41,(15.55,5.57,;14.78,4.24,;15.55,2.9,;14.78,1.57,;13.24,1.57,;12.47,2.9,;13.24,4.24,;10.96,2.58,;10.8,1.05,;9.47,.28,;9.47,-1.26,;8.13,1.05,;6.8,.28,;6.8,-1.26,;5.47,-2.03,;4.13,-1.26,;4.13,.28,;5.47,1.05,;5.47,2.59,;2.8,1.05,;2.8,2.59,;1.46,3.36,;.13,2.59,;.13,1.05,;-1.2,.28,;-2.54,1.05,;-2.54,2.59,;-3.87,.28,;-4.03,-1.25,;-5.54,-1.57,;-6.31,-2.9,;-7.85,-2.9,;-8.62,-4.24,;-10.16,-4.24,;-10.93,-5.57,;-12.47,-5.57,;-13.24,-4.24,;-12.47,-2.9,;-10.93,-2.9,;-14.78,-4.24,;-15.55,-2.9,;-15.55,-5.57,;-8.62,-1.57,;-7.85,-.24,;-6.31,-.24,;-5.28,.91,;-5.6,2.41,;1.46,.28,;1.46,-1.26,;12.21,.43,;12.53,-1.08,)|
Structure:
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