Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468525
Substrate
n/a
Meas. Tech.
Homogeneous Time-Resolved Fluorescence (HERF)
IC50
<0.1±n/a nM
Citation
 Lu, LZhu, WQian, DXiao, K Immunomodulator compounds and methods of use US Patent  US10806785 Publication Date 10/20/2020 
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:
BDBM468525
Synonyms:
US10806785, Example 154 | trans-4-(2-(2-((2′-chloro-2-cyano-3′-(5-ethyl-1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-carboxamido)-[1,1′-biphenyl]-3-yl)carbamoyl)-1-methyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl)cyclohexane-1-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C40H46ClN9O4
Mol. Mass.:
752.304
SMILES:
CCN1CCc2c(C1)nc(C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c3nc4CN(CC[C@H]5CC[C@@H](CC5)C(O)=O)CCc4n3C)c1C#N)n2C |r,wU:38.43,wD:35.36,(15.93,8.24,;14.39,8.24,;13.62,6.9,;14.39,5.57,;13.62,4.24,;12.08,4.24,;11.31,5.57,;12.08,6.9,;9.81,5.25,;9.65,3.72,;8.31,2.95,;8.31,1.41,;6.98,3.72,;5.64,2.95,;5.64,1.41,;4.31,.64,;2.98,1.41,;2.98,2.95,;4.31,3.72,;4.31,5.26,;1.64,3.72,;1.64,5.26,;.31,6.03,;-1.02,5.26,;-1.02,3.72,;-2.36,2.95,;-3.69,3.72,;-3.69,5.26,;-5.03,2.95,;-5.19,1.42,;-6.69,1.1,;-7.46,-.24,;-9,-.24,;-9.77,-1.57,;-11.31,-1.57,;-12.08,-2.9,;-13.62,-2.9,;-14.39,-4.24,;-13.62,-5.57,;-12.08,-5.57,;-11.31,-4.24,;-14.39,-6.9,;-15.93,-6.9,;-13.62,-8.24,;-9.77,1.1,;-9,2.43,;-7.46,2.43,;-6.43,3.58,;-6.75,5.08,;.31,2.95,;.31,1.41,;.31,-.13,;11.05,3.09,;11.37,1.59,)|
Structure:
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