Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468418
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:
BDBM468418
Synonyms:
US10806785, Example 62 | trans-4-((2-(2,2′-dichloro-3′-(5-ethyl-1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxamido)biphenyl-3-ylcarbamoyl)-1-methyl-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methyl)cyclohexane-1-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C38H44Cl2N8O4
Mol. Mass.:
747.713
SMILES:
CCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(C[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1Cl)n2C |r,wU:37.42,wD:34.35,(16.32,5.57,;14.78,5.57,;14.01,4.24,;14.78,2.9,;14.01,1.57,;12.47,1.57,;11.7,2.9,;12.47,4.24,;10.19,2.58,;10.03,1.05,;8.7,.28,;8.7,-1.26,;7.36,1.05,;6.03,.28,;6.03,-1.26,;4.7,-2.03,;3.36,-1.26,;3.36,.28,;4.7,1.05,;4.7,2.59,;2.03,1.05,;2.03,2.59,;.69,3.36,;-.64,2.59,;-.64,1.05,;-1.97,.28,;-3.31,1.05,;-3.31,2.59,;-4.64,.28,;-4.8,-1.25,;-6.31,-1.57,;-7.08,-2.9,;-8.62,-2.9,;-9.39,-4.24,;-10.93,-4.24,;-11.7,-2.9,;-13.24,-2.9,;-14.01,-4.24,;-13.24,-5.57,;-11.7,-5.57,;-15.55,-4.24,;-16.32,-2.9,;-16.32,-5.57,;-9.39,-1.57,;-8.62,-.24,;-7.08,-.24,;-6.05,.91,;-6.37,2.41,;.69,.28,;.69,-1.26,;11.44,.43,;11.76,-1.08,)|
Structure:
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