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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM395655
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:
BDBM395655
Synonyms:
(R)-4-(2-(2-(2- chloro-3'-(7- cyano-5-((3- hydroxypyrrolidin- 1-yl)methyl)benzo- [d]oxazol-2-yl)-2'- methylbiphenyl-3- ylcarbamoyl)-1- methyl-6,7-dihydro- 1H-imidazo[4,5-c]- pyridin-5(4H)-yl)- ethyl)cyclohexane carboxylic acid | US10308644, Example 265 | US10800768, Example 265 | US11339149, Example 265 | US11401279, Example 265
Type:
Small organic molecule
Emp. Form.:
C43H46ClN7O5
Mol. Mass.:
776.322
SMILES:
Cc1c(cccc1-c1cccc(NC(=O)c2nc3CN(CCC4CCC(CC4)C(O)=O)CCc3n2C)c1Cl)-c1nc2cc(CN3CC[C@@H](O)C3)cc(C#N)c2o1 |r,wD:47.52,(4.53,3.67,;4.21,2.17,;5.36,1.14,;5.04,-.37,;3.57,-.85,;2.43,.19,;2.75,1.69,;1.6,2.72,;1.92,4.23,;.78,5.26,;-.68,4.78,;-1.01,3.28,;-2.47,2.8,;-3.61,3.83,;-3.29,5.34,;-5.08,3.36,;-5.55,1.89,;-7.09,1.89,;-8.12,.75,;-9.63,1.07,;-10.66,-.08,;-12.17,.24,;-13.2,-.9,;-14.7,-.58,;-15.74,-1.73,;-15.26,-3.19,;-13.75,-3.51,;-12.72,-2.37,;-16.29,-4.34,;-17.8,-4.02,;-15.81,-5.8,;-10.11,2.53,;-9.08,3.68,;-7.57,3.36,;-6.32,4.26,;-6.32,5.8,;.14,2.25,;-.18,.74,;6.82,1.61,;7.3,3.08,;8.84,3.08,;9.87,4.22,;11.37,3.9,;12.4,5.05,;13.91,4.73,;14.54,3.32,;16.07,3.48,;16.39,4.99,;17.8,5.61,;15.06,5.76,;11.85,2.44,;10.82,1.29,;11.3,-.17,;11.77,-1.64,;9.31,1.61,;8.07,.71,)|
Structure:
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