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Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM395660
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:
BDBM395660
Synonyms:
US10308644, Example 270 | US10800768, Example 270 | US11339149, Example 270 | trans-4-((2-(2-chloro-3′-(7-cyano-5-((5-hydroxy-2-azabicyclo[2.2.1]heptan-2-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)methyl)cyclohexanecarboxylic acid
Type:
Small organic molecule
Emp. Form.:
C44H46ClN7O5
Mol. Mass.:
788.333
SMILES:
Cc1c(cccc1-c1cccc(NC(=O)c2nc3CN(CC4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl)-c1nc2cc(CN3CC4CC3CC4O)cc(C#N)c2o1 |r,wU:24.28,(4.25,1.42,;3.86,-.07,;4.95,-1.15,;4.55,-2.64,;3.06,-3.04,;1.97,-1.95,;2.37,-.46,;1.28,.62,;1.68,2.11,;.59,3.2,;-.9,2.8,;-1.3,1.31,;-2.78,.92,;-3.87,2,;-3.47,3.49,;-5.36,1.61,;-5.84,.14,;-7.38,.14,;-8.41,-1,;-9.91,-.68,;-11,-1.77,;-12.49,-1.37,;-12.89,.11,;-14.38,.51,;-15.46,-.58,;-15.07,-2.06,;-13.58,-2.46,;-16.95,-.18,;-17.35,1.31,;-18.04,-1.27,;-10.39,.78,;-9.36,1.93,;-7.85,1.61,;-6.61,2.51,;-6.61,4.05,;-.21,.23,;-.61,-1.26,;6.43,-.76,;6.91,.71,;8.45,.71,;9.48,1.85,;10.99,1.53,;12.07,2.62,;13.56,2.22,;13.98,.74,;15.46,.34,;15.46,1.88,;14.67,3.31,;16.16,2.91,;16.55,1.43,;18.04,1.03,;11.46,.07,;10.43,-1.08,;10.83,-2.56,;11.23,-4.05,;8.92,-.76,;7.68,-1.66,)|
Structure:
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