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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM395656
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:
BDBM395656
Synonyms:
US10308644, Example 266 | US10800768, Example 266 | US11339149, Example 266 | cis-4-((2-(2-chloro- 3'-(7-cyano-5-(((R)- 3-hydroxypyrrolidin- 1-yl)methyl)benzo- [d]oxazol-2-yl)-2'- methylbiphenyl-3- ylcarbamoyl)-1- methyl-6,7-dihydro- 1H-imidazo[4,5-c]-
Type:
Small organic molecule
Emp. Form.:
C42H44ClN7O5
Mol. Mass.:
762.296
SMILES:
Cc1c(cccc1-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@H](CC4)C(O)=O)CCc3n2C)c1Cl)-c1nc2cc(CN3CC[C@@H](O)C3)cc(C#N)c2o1 |r,wD:46.51,21.21,24.28,(4.49,1.59,;4.17,.09,;5.32,-.94,;5,-2.45,;3.53,-2.93,;2.39,-1.9,;2.71,-.39,;1.56,.64,;1.88,2.15,;.74,3.18,;-.72,2.7,;-1.04,1.19,;-2.51,.72,;-3.65,1.75,;-3.33,3.26,;-5.12,1.27,;-5.59,-.19,;-7.13,-.19,;-8.16,-1.34,;-9.67,-1.02,;-10.7,-2.16,;-12.21,-1.84,;-12.68,-.38,;-14.19,-.05,;-15.22,-1.2,;-14.74,-2.66,;-13.24,-2.98,;-16.73,-.88,;-17.2,.59,;-17.76,-2.02,;-10.15,.45,;-9.12,1.59,;-7.61,1.27,;-6.36,2.18,;-6.36,3.72,;.1,.16,;-.22,-1.34,;6.78,-.47,;7.26,1,;8.8,1,;9.83,2.14,;11.34,1.82,;12.37,2.96,;13.87,2.64,;14.5,1.24,;16.03,1.4,;16.35,2.9,;17.76,3.53,;15.02,3.67,;11.81,.36,;10.78,-.79,;11.26,-2.25,;11.73,-3.72,;9.27,-.47,;8.03,-1.37,)|
Structure:
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