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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468529
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:
BDBM468529
Synonyms:
US10806785, Example 158 | trans-4-((2-(2-chloro-3′-(5-(2-(isopropyl(methyl)amino)acetyl)-5,6-dihydro-4H-pyrrolo[3,4-d]thiazol-2-yl)-2′-methylbiphenyl-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.:
C40H48ClN7O4S
Mol. Mass.:
758.372
SMILES:
CC(C)N(C)CC(=O)N1Cc2nc(sc2C1)-c1cccc(c1C)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl |r,wU:37.39,wD:40.46,(-17.23,-4.11,;-15.89,-3.34,;-15.89,-1.8,;-14.56,-4.11,;-14.56,-5.65,;-13.23,-3.34,;-11.89,-4.11,;-11.89,-5.65,;-10.56,-3.34,;-9.15,-3.97,;-8.12,-2.82,;-6.61,-2.5,;-6.45,-.97,;-7.86,-.35,;-8.89,-1.49,;-10.4,-1.81,;-5.12,-.2,;-5.12,1.34,;-3.79,2.11,;-2.45,1.34,;-2.45,-.2,;-3.79,-.97,;-3.79,-2.51,;-1.12,-.97,;-1.12,-2.51,;.21,-3.28,;1.55,-2.51,;1.55,-.97,;2.88,-.2,;4.22,-.97,;4.22,-2.51,;5.55,-.2,;5.71,1.33,;7.22,1.65,;7.99,2.98,;9.53,2.98,;10.3,4.32,;11.84,4.32,;12.61,5.65,;14.15,5.65,;14.92,4.32,;14.15,2.98,;12.61,2.98,;16.46,4.32,;17.23,5.65,;17.23,2.98,;10.3,1.65,;9.53,.32,;7.99,.32,;6.96,-.83,;7.28,-2.33,;.21,-.2,;.21,1.34,)|
Structure:
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