Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468495
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:
BDBM468495
Synonyms:
US10806785, Example 133 | trans-4- (2-(2- (2-chloro- 3'-(5-((S)-2- hydroxy- propyl)- 1- methyl- 4,5,6,7- tetrahydro- 1H- imidazo [4,5-c] pyridine-2- carbox- amido)-2'- methyl- biphenyl-3- ylcarba- moyl)-1- methyl-6,7- dihydro-1H- imidazo[4,5- c]pyridin- 5(4H)-
Type:
Small organic molecule
Emp. Form.:
C41H51ClN8O5
Mol. Mass.:
771.347
SMILES:
C[C@H](O)CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1C)-c1cccc(NC(=O)c3nc4CN(CC[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C |r,wU:40.45,1.1,wD:37.38,(16.32,6.24,;15.55,7.57,;16.32,8.91,;14.01,7.57,;13.24,6.24,;14.01,4.9,;13.24,3.57,;11.7,3.57,;10.93,4.9,;11.7,6.24,;9.42,4.58,;9.26,3.05,;7.93,2.28,;7.93,.74,;6.59,3.05,;5.26,2.28,;5.26,.74,;3.93,-.03,;2.59,.74,;2.59,2.28,;3.93,3.05,;3.93,4.59,;1.26,3.05,;1.26,4.59,;-.08,5.36,;-1.41,4.59,;-1.41,3.05,;-2.74,2.28,;-4.08,3.05,;-4.08,4.59,;-5.41,2.28,;-5.57,.75,;-7.08,.43,;-7.85,-.9,;-9.39,-.9,;-10.16,-2.24,;-11.7,-2.24,;-12.47,-3.57,;-14.01,-3.57,;-14.78,-4.9,;-14.01,-6.24,;-12.47,-6.24,;-11.7,-4.9,;-14.78,-7.57,;-16.32,-7.57,;-14.01,-8.91,;-10.16,.43,;-9.39,1.76,;-7.85,1.76,;-6.82,2.91,;-7.59,4.24,;-.08,2.28,;-.08,.74,;10.67,2.43,;11.44,1.09,)|
Structure:
Search PDB for entries with ligand similarity: