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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
BDBM412149
Substrate
n/a
Meas. Tech.
Enzyme-Linked Immunosorbent Assay-ELISA
IC50
10250±n/a nM
Citation
 Malathong, V; McMahon, J; McMurtrie, DJ; Punna, S; Roth, HS; Singh, R; Zhang, P Macrocyclic immunomodulators US Patent  US11059834 Publication Date 7/13/2021 
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:
BDBM412149
Synonyms:
US10392405, Compound Id 1.013 | US11059834, Compound 1.013 | US11691985, Compound 1.013
Type:
Small organic molecule
Emp. Form.:
C33H32ClN3O4
Mol. Mass.:
570.078
SMILES:
Cc1c(COc2cc-3c(CN[C@@H](CCCCNC(=O)c4cncc-3c4)C(O)=O)cc2Cl)cccc1-c1ccccc1 |r|
Structure:
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