Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468447
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:
BDBM468447
Synonyms:
US10806785, Example 89 | trans-4-(2-(2-((2,2'-dichloro- 3'-(5-cyclobutyl-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.:
C41H48Cl2N8O4
Mol. Mass.:
787.777
SMILES:
Cn1c2CCN(CC[C@H]3CC[C@@H](CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC2)c1Cl |r,wU:11.14,wD:8.7,(-6.83,4.29,;-6.43,2.81,;-7.46,1.66,;-9,1.66,;-9.77,.33,;-9,-1.01,;-9.77,-2.34,;-11.31,-2.34,;-12.08,-3.67,;-13.62,-3.67,;-14.39,-5.01,;-13.62,-6.34,;-12.08,-6.34,;-11.31,-5.01,;-14.39,-7.67,;-15.93,-7.67,;-13.62,-9.01,;-7.46,-1.01,;-6.69,.33,;-5.19,.65,;-5.03,2.18,;-3.69,2.95,;-3.69,4.49,;-2.36,2.18,;-1.02,2.95,;-1.02,4.49,;.31,5.26,;1.64,4.49,;1.64,2.95,;.31,2.18,;.31,.64,;2.98,2.18,;2.98,.64,;4.31,-.13,;5.64,.64,;5.64,2.18,;6.98,2.95,;8.31,2.18,;8.31,.64,;9.65,2.95,;9.81,4.48,;11.31,4.8,;12.08,6.13,;13.62,6.13,;14.39,4.8,;13.62,3.47,;12.08,3.47,;11.05,2.32,;11.45,.84,;14.39,7.47,;15.93,7.47,;15.93,9.01,;14.39,9.01,;4.31,2.95,;4.31,4.49,)|
Structure:
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