Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468517
Substrate
n/a
Meas. Tech.
Homogeneous Time-Resolved Fluorescence (HERF)
IC50
<0.1±n/a nM
Citation
 Lu, L; Zhu, W; Qian, D; Xiao, 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:
BDBM468517
Synonyms:
US10806785, Example 146-2
Type:
Small organic molecule
Emp. Form.:
C43H52Cl2N8O5
Mol. Mass.:
831.83
SMILES:
Cn1c2CCN(CC[C@H]3CC[C@H](CC3)C(O)=O)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(CCc3n2C)C2CCC(O)CC2)c1Cl |r,wD:8.7,11.14,(-7.14,3.08,;-6.82,1.58,;-7.85,.43,;-9.39,.43,;-10.16,-.9,;-9.39,-2.24,;-10.16,-3.57,;-11.7,-3.57,;-12.47,-4.9,;-14.01,-4.9,;-14.78,-6.24,;-14.01,-7.57,;-12.47,-7.57,;-11.7,-6.24,;-14.78,-8.91,;-16.32,-8.91,;-14.01,-10.24,;-7.85,-2.24,;-7.08,-.9,;-5.57,-.58,;-5.41,.95,;-4.08,1.72,;-4.08,3.26,;-2.74,.95,;-1.41,1.72,;-1.41,3.26,;-.08,4.03,;1.26,3.26,;1.26,1.72,;-.08,.95,;-.08,-.59,;2.59,.95,;2.59,-.59,;3.93,-1.36,;5.26,-.59,;5.26,.95,;6.59,1.72,;7.93,.95,;7.93,-.59,;9.26,1.72,;9.42,3.25,;10.93,3.57,;11.7,4.9,;13.24,4.9,;14.01,3.57,;13.24,2.24,;11.7,2.24,;10.67,1.09,;10.99,-.41,;14.01,6.24,;15.55,6.24,;16.32,7.57,;15.55,8.91,;16.32,10.24,;14.01,8.91,;13.24,7.57,;3.93,1.72,;3.93,3.26,)|
Structure:
Search PDB for entries with ligand similarity: