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Target
Programmed cell death protein 1 [25-167,N33K], Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S]/Programmed cell death 1 ligand 1 [18-239,H172E]
Ligand
BDBM581058
Substrate
n/a
Meas. Tech.
Homogenous Time-Resolved Fluorescence (HTRF) Binding Assays
IC50
4.00±n/a nM
Citation
 Miller, II, MM; Allen, MP; Li, L Cyclic peptide immunomodulators US Patent  US11492375 Publication Date 11/8/2022 
Target
Name:
Programmed cell death protein 1 [25-167,N33K], Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S]/Programmed cell death 1 ligand 1 [18-239,H172E]
Synonyms:
PD-1/PD-L
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,N33K], Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S]
Synonyms:
Complex of Programmed cell death protein 1 [25-167,N33K] and Immunoglobulin heavy constant gamma 1 [99-330,C104S,C109S,C112S,L118I,P121S] | hPD1(25-167)-3S-IG
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42672.97
Organism:
Homo sapiens (Human)
Description:
Q15116[25-167,N33K],P01857[99-330,C104S,C109S,C112S,L118I,P121S]
Residue:
384
Sequence:
LDSPDRPWKPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQGSPGGGGGREPKSSDKTHTSPPSPAPELIGGSSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
  
Component 2
Name:
Programmed cell death 1 ligand 1 [18-239,H172E]
Synonyms:
B7H1 | CD274 | PD1L1_HUMAN | PDCD1L1 | PDCD1LG1 | PDL1 | hPDL1(18-239)-TVMV-His
Type:
Enzyme Catalytic Domain
Mol. Mass.:
27269.94
Organism:
Homo sapiens (Human)
Description:
Q9NZQ7[18-239,H172E]
Residue:
238
Sequence:
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDEQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTGSEETVRFQGHHHHHH
  
Inhibitor
Name:
BDBM581058
Synonyms:
US11492375, Example 1120
Type:
Small organic molecule
Emp. Form.:
C91H119N21O22S
Mol. Mass.:
1891.111
SMILES:
C[C@@H]1NC(=O)[C@@H]2CCCC\C=C/CCCC[C@H](N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC1=O)C(=O)NCC(N)=O)C(=O)N2C |r,c:10|
Structure:
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