Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468457
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:
BDBM468457
Synonyms:
4-(2-((2,2′-dichloro-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)-1-ethylcyclohexane-1-carboxylic acid | US10806785, Example 99
Type:
Small organic molecule
Emp. Form.:
C42H50Cl2N8O5
Mol. Mass.:
817.803
SMILES:
CCC1(CCC(CC1)N1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CCc4n3C)C3CCOCC3)c1Cl)n2C)C(O)=O |(-15.3,-5.59,;-14.21,-6.68,;-12.72,-6.28,;-13.49,-4.95,;-12.72,-3.62,;-11.18,-3.62,;-10.41,-4.95,;-11.18,-6.28,;-10.41,-2.28,;-11.18,-.95,;-10.41,.39,;-8.87,.39,;-8.1,-.95,;-8.87,-2.28,;-6.59,-.63,;-6.43,.9,;-5.1,1.67,;-5.1,3.21,;-3.76,.9,;-2.43,1.67,;-2.43,3.21,;-1.1,3.98,;.24,3.21,;.24,1.67,;-1.1,.9,;-1.1,-.64,;1.57,.9,;1.57,-.64,;2.9,-1.41,;4.24,-.64,;4.24,.9,;5.57,1.67,;6.9,.9,;6.9,-.64,;8.24,1.67,;8.4,3.2,;9.91,3.53,;10.68,4.86,;12.22,4.86,;12.99,3.53,;12.22,2.19,;10.68,2.19,;9.65,1.05,;9.97,-.46,;12.99,6.19,;14.53,6.19,;15.3,7.53,;14.53,8.86,;12.99,8.86,;12.22,7.53,;2.9,1.67,;2.9,3.21,;-7.84,1.53,;-8.16,3.04,;-12.32,-7.77,;-13.41,-8.86,;-10.83,-8.17,)|
Structure:
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