Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468483
Substrate
n/a
Meas. Tech.
Homogeneous Time-Resolved Fluorescence (HERF)
IC50
<0.1±n/a nM
Citation
 Lu, LZhu, WQian, DXiao, 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:
BDBM468483
Synonyms:
US10806785, Example 122 | trans-4-(2-(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-carboxamido)-[1,1′-biphenyl]-3-yl)carbamoyl)-1-methyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl)cyclohexane-1-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C43H53ClN8O5
Mol. Mass.:
797.385
SMILES:
Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)cccc1-c1cccc(NC(=O)c2nc3CN(CC[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl |r,wU:44.51,wD:41.44,(3.93,3.93,;3.93,2.39,;5.26,1.62,;6.59,2.39,;7.93,1.62,;7.93,.08,;9.26,2.39,;9.42,3.92,;10.93,4.24,;11.7,5.57,;13.24,5.57,;14.01,4.24,;13.24,2.9,;11.7,2.9,;10.67,1.76,;10.99,.25,;14.01,6.9,;15.55,6.9,;16.32,8.24,;15.55,9.57,;14.01,9.57,;13.24,8.24,;5.26,.08,;3.93,-.69,;2.59,.08,;2.59,1.62,;1.26,2.39,;1.26,3.93,;-.08,4.7,;-1.41,3.93,;-1.41,2.39,;-2.74,1.62,;-4.08,2.39,;-4.08,3.93,;-5.41,1.62,;-5.57,.08,;-7.08,-.24,;-7.85,-1.57,;-9.39,-1.57,;-10.16,-2.9,;-11.7,-2.9,;-12.47,-4.24,;-14.01,-4.24,;-14.78,-5.57,;-14.01,-6.9,;-12.47,-6.9,;-11.7,-5.57,;-14.78,-8.24,;-16.32,-8.24,;-14.01,-9.57,;-10.16,-.24,;-9.39,1.1,;-7.85,1.1,;-6.82,2.24,;-7.14,3.75,;-.08,1.62,;-.08,.08,)|
Structure:
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