Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468427
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:
BDBM468427
Synonyms:
US10806785, Example 71 | cis-4-((2-((2,2'-dichloro-3'- (5-(cyclopropylmethyl)-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)methyl)cyclohexane- 1-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C40H46Cl2N8O4
Mol. Mass.:
773.75
SMILES:
Cn1c2CCN(CC3CC3)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@H](CC4)C(O)=O)CCc3n2C)c1Cl |r,wU:38.41,41.48,(11.17,-1.45,;10.77,.04,;11.8,1.18,;13.34,1.18,;14.11,2.52,;13.34,3.85,;14.11,5.19,;15.65,5.19,;16.98,4.42,;16.98,5.96,;11.8,3.85,;11.03,2.52,;9.52,2.2,;9.36,.67,;8.03,-.1,;8.03,-1.64,;6.7,.67,;5.36,-.1,;5.36,-1.64,;4.03,-2.41,;2.69,-1.64,;2.69,-.1,;4.03,.67,;4.03,2.21,;1.36,.67,;1.36,2.21,;.03,2.98,;-1.31,2.21,;-1.31,.67,;-2.64,-.1,;-3.97,.67,;-3.97,2.21,;-5.31,-.1,;-5.47,-1.63,;-6.97,-1.95,;-7.74,-3.29,;-9.28,-3.29,;-10.05,-4.62,;-11.59,-4.62,;-12.36,-5.96,;-13.9,-5.96,;-14.67,-4.62,;-13.9,-3.29,;-12.36,-3.29,;-16.21,-4.62,;-16.98,-3.29,;-16.98,-5.96,;-10.05,-1.95,;-9.28,-.62,;-7.74,-.62,;-6.71,.52,;-7.11,2.01,;.03,-.1,;.03,-1.64,)|
Structure:
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