Reaction Details Report a problem with these data
Target
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167]
Ligand
BDBM468421
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:
BDBM468421
Synonyms:
US10806785, Example 65 | trans-4-((2-((2,2′-dichloro-3′-(5-(2-hydroxyethyl)-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.:
C38H44Cl2N8O5
Mol. Mass.:
763.713
SMILES:
Cn1c2CCN(CCO)Cc2nc1C(=O)Nc1cccc(c1Cl)-c1cccc(NC(=O)c2nc3CN(C[C@H]4CC[C@@H](CC4)C(O)=O)CCc3n2C)c1Cl |r,wU:40.46,wD:37.39,(11.37,-1.75,;11.05,-.24,;12.08,.9,;13.62,.9,;14.39,2.24,;13.62,3.57,;14.39,4.9,;15.93,4.9,;16.7,6.24,;12.08,3.57,;11.31,2.24,;9.81,1.92,;9.65,.38,;8.31,-.38,;8.31,-1.93,;6.98,.38,;5.64,-.38,;5.64,-1.93,;4.31,-2.69,;2.98,-1.93,;2.98,-.38,;4.31,.38,;4.31,1.93,;1.64,.38,;1.64,1.93,;.31,2.69,;-1.02,1.93,;-1.02,.38,;-2.36,-.38,;-3.69,.38,;-3.69,1.93,;-5.03,-.38,;-5.19,-1.92,;-6.69,-2.24,;-7.46,-3.57,;-9,-3.57,;-9.77,-4.9,;-11.31,-4.9,;-12.08,-3.57,;-13.62,-3.57,;-14.39,-4.9,;-13.62,-6.24,;-12.08,-6.24,;-15.93,-4.9,;-16.7,-3.57,;-16.7,-6.24,;-9.77,-2.24,;-9,-.9,;-7.46,-.9,;-6.43,.24,;-6.75,1.75,;.31,-.38,;.31,-1.93,)|
Structure:
Search PDB for entries with ligand similarity: