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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468523
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:
BDBM468523
Synonyms:
US10806785, Example 152 | trans-4-(2-(2- ((2-chloro-2'- cyano-3'- (5-isopropyl-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)ethyl) cyclohexane-1- carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C41H48ClN9O4
Mol. Mass.:
766.331
SMILES:
CC(C)N1CCc2c(C1)nc(C(=O)Nc1cccc(-c3cccc(NC(=O)c4nc5CN(CC[C@H]6CC[C@@H](CC6)C(O)=O)CCc5n4C)c3Cl)c1C#N)n2C |r,wU:37.41,wD:34.34,(15.93,7.57,;14.39,7.57,;13.62,8.91,;13.62,6.24,;14.39,4.9,;13.62,3.57,;12.08,3.57,;11.31,4.9,;12.08,6.24,;9.81,4.58,;9.65,3.05,;8.31,2.28,;8.31,.74,;6.98,3.05,;5.64,2.28,;5.64,.74,;4.31,-.03,;2.98,.74,;2.98,2.28,;1.64,3.05,;1.64,4.59,;.31,5.36,;-1.02,4.59,;-1.02,3.05,;-2.36,2.28,;-3.69,3.05,;-3.69,4.59,;-5.03,2.28,;-5.19,.75,;-6.69,.43,;-7.46,-.9,;-9,-.9,;-9.77,-2.24,;-11.31,-2.24,;-12.08,-3.57,;-13.62,-3.57,;-14.39,-4.9,;-13.62,-6.24,;-12.08,-6.24,;-11.31,-4.9,;-14.39,-7.57,;-15.93,-7.57,;-13.62,-8.91,;-9.77,.43,;-9,1.76,;-7.46,1.76,;-6.43,2.91,;-7.2,4.24,;.31,2.28,;.31,.74,;4.31,3.05,;4.31,4.59,;4.31,6.13,;11.05,2.43,;11.82,1.09,)|
Structure:
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