Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468484
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:
BDBM468484
Synonyms:
US10806785, Example 123 | trans-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- carboxamido)- [1,1'-biphenyl]- 3-yl) carbamoyl)- 1-methyl- 1,4,6,7- tetrahydro-5H- imidazo[4,5-c]
Type:
Small organic molecule
Emp. Form.:
C42H51ClN8O5
Mol. Mass.:
783.358
SMILES:
Cc1c(NC(=O)c2nc3CN(CCc3n2C)C2CCOCC2)cccc1-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl |r,wU:43.50,wD:40.43,(4.31,1.26,;4.31,-.28,;5.64,-1.05,;6.98,-.28,;8.31,-1.05,;8.31,-2.59,;9.65,-.28,;9.81,1.25,;11.31,1.57,;12.08,2.9,;13.62,2.9,;14.39,1.57,;13.62,.24,;12.08,.24,;11.05,-.91,;11.82,-2.24,;14.39,4.24,;15.93,4.24,;16.7,5.57,;15.93,6.9,;14.39,6.9,;13.62,5.57,;5.64,-2.59,;4.31,-3.36,;2.98,-2.59,;2.98,-1.05,;1.64,-.28,;1.64,1.26,;.31,2.03,;-1.02,1.26,;-1.02,-.28,;-2.36,-1.05,;-3.69,-.28,;-3.69,1.26,;-5.03,-1.05,;-5.19,-2.58,;-6.69,-2.9,;-7.46,-4.24,;-9,-4.24,;-9.77,-5.57,;-11.31,-5.57,;-12.08,-4.24,;-13.62,-4.24,;-14.39,-5.57,;-13.62,-6.9,;-12.08,-6.9,;-15.93,-5.57,;-16.7,-4.24,;-16.7,-6.9,;-9.77,-2.9,;-9,-1.57,;-7.46,-1.57,;-6.43,-.43,;-7.2,.91,;.31,-1.05,;.31,-2.59,)|
Structure:
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