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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM395479
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:
BDBM395479
Synonyms:
(1R,4R)-4-((2-(2′-chloro-3′-(1,5-dimethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxamido)-2-methylbiphenyl-3-yl)-7-cyanobenzo[d]oxazol-5-yl)methylamino)cyclohexanecarboxylic acid | US10308644, Example 91 | US10800768, Example 91 | US11339149, Example 91
Type:
Small organic molecule
Emp. Form.:
C38H38ClN7O4
Mol. Mass.:
692.206
SMILES:
CN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(-c3nc4cc(CN[C@H]5CC[C@@H](CC5)C(O)=O)cc(C#N)c4o3)c1C)n2C |r,wU:34.39,wD:31.32,(-13.83,-4.9,;-13.06,-3.57,;-13.83,-2.24,;-13.06,-.9,;-11.52,-.9,;-10.75,-2.24,;-11.52,-3.57,;-9.24,-1.92,;-9.08,-.38,;-7.75,.38,;-7.75,1.93,;-6.41,-.38,;-5.08,.38,;-5.08,1.93,;-3.75,2.69,;-2.41,1.93,;-2.41,.38,;-3.75,-.38,;-3.75,-1.93,;-1.08,-.38,;-1.08,-1.93,;.25,-2.69,;1.59,-1.93,;1.59,-.38,;2.92,.38,;3.08,1.92,;4.59,2.24,;5.36,3.57,;6.9,3.57,;7.67,4.9,;9.21,4.9,;9.98,3.57,;9.21,2.24,;9.98,.9,;11.52,.9,;12.29,2.24,;11.52,3.57,;12.29,-.43,;11.52,-1.76,;13.83,-.43,;7.67,2.24,;6.9,.9,;7.67,-.43,;8.44,-1.76,;5.36,.9,;4.33,-.24,;.25,.38,;.25,1.93,;-10.49,.24,;-10.89,1.73,)|
Structure:
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