Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468471
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:
BDBM468471
Synonyms:
US10806785, Example 113 | cis-4-((2-((2′-chloro-2-methyl-3′-(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)methyl)cyclohexane-1-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C37H43ClN8O4
Mol. Mass.:
699.242
SMILES:
Cc1c(NC(=O)c2nc3CN(C[C@H]4CC[C@H](CC4)C(O)=O)CCc3n2C)cccc1-c1cccc(NC(=O)c2nc3CNCCc3n2C)c1Cl |r,wU:12.11,15.18,(1.46,-1.26,;1.46,.28,;.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,-5.57,;-15.55,-2.9,;-8.62,-1.57,;-7.85,-.24,;-6.31,-.24,;-5.28,.91,;-5.6,2.41,;.13,2.59,;1.46,3.36,;2.8,2.59,;2.8,1.05,;4.13,.28,;4.13,-1.26,;5.47,-2.03,;6.8,-1.26,;6.8,.28,;8.13,1.05,;9.47,.28,;9.47,-1.26,;10.8,1.05,;10.96,2.58,;12.47,2.9,;13.24,4.24,;14.78,4.24,;15.55,2.9,;14.78,1.57,;13.24,1.57,;12.21,.43,;12.53,-1.08,;5.47,1.05,;5.47,2.59,)|
Structure:
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