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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM395572
Substrate
n/a
Meas. Tech.
TBD
IC50
3000±n/a nM
Citation
 Wu, L; Li, J; Yao, W; Qi, C; Qian, D; Zhang, F Heterocyclic compounds as immunomodulators US Patent  US10800768 Publication Date 10/13/2020 
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:
BDBM395572
Synonyms:
2-(trans-4-((7- cyano-2-(3'-(3- (((R)-3-hydroxy- pyrrolidin-1-yl)- methyl)-1,7- naphthyridin-8- ylamino)-2,2'- dimethylbiphenyl- | US10308644, Example 184 | US10800768, Example 184 | US11339149, Example 184
Type:
Small organic molecule
Emp. Form.:
C44H45N7O4
Mol. Mass.:
735.8726
SMILES:
Cc1c(Nc2nccc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CNC4CC[C@H](CC(O)=O)CC4)cc(C#N)c3o2)c1C |r,wD:15.15,40.44,(-3.48,-1.54,;-3.48,,;-4.82,.77,;-6.15,,;-7.48,.77,;-7.48,2.31,;-8.82,3.08,;-10.15,2.31,;-10.15,.77,;-11.48,,;-11.48,-1.54,;-12.82,-2.31,;-14.15,-1.54,;-14.31,-.01,;-15.82,.31,;-16.59,-1.02,;-18.12,-1.18,;-15.56,-2.17,;-10.15,-2.31,;-8.82,-1.54,;-8.82,,;-4.82,2.31,;-3.48,3.08,;-2.15,2.31,;-2.15,.77,;-.81,,;-.81,-1.54,;.52,-2.31,;1.85,-1.54,;1.85,,;3.19,.77,;3.19,2.31,;5.85,2.31,;7.19,3.08,;8.52,2.31,;9.85,3.08,;11.19,2.31,;12.28,1.22,;13.76,1.62,;14.85,.53,;14.45,-.96,;15.54,-2.05,;15.15,-3.53,;13.66,-3.93,;16.23,-4.62,;12.97,-1.36,;11.88,-.27,;8.52,.77,;7.19,,;7.19,-1.54,;7.19,-3.08,;5.85,.77,;4.52,,;.52,.77,;.52,2.31,)|
Structure:
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