Target
Programmed cell death 1 ligand/protein 1
Ligand
BDBM477009
Substrate
n/a
Meas. Tech.
Homogenous Time-Resolved Fluorescence (HTRF) binding assay
IC50
50100±n/a nM
Citation
 Yeung, KGrant-Young, KASun, LLangley, DRSt. Laurent, DRScola, PM Compounds useful as immunomodulators US Patent  US10882844 Publication Date 1/5/2021 
Target
Name:
Programmed cell death 1 ligand/protein 1
Synonyms:
PD-1/PD-L1 | Programmed cell death protein 1/Programmed cell death 1 ligand 1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Programmed cell death protein 1
Synonyms:
CD_antigen=CD279 | PD1 | PDCD1 | PDCD1_HUMAN | Programmed cell death protein 1 | Protein PD-1 | hPD-1
Type:
PROTEIN
Mol. Mass.:
31650.07
Organism:
Homo sapiens
Description:
ChEMBL_108437
Residue:
288
Sequence:
MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL
  
Component 2
Name:
Programmed cell death 1 ligand 1
Synonyms:
B7 homolog 1 | B7-H1 | B7H1 | B7H1 | CD274 | CD_antigen=CD274 | PD-L1 | PD1L1_HUMAN | PDCD1 ligand 1 | PDCD1L1 | PDCD1LG1 | PDL1 | Programmed cell death 1 ligand 1 | Programmed death ligand 1
Type:
PROTEIN
Mol. Mass.:
33278.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109807
Residue:
290
Sequence:
MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET
  
Inhibitor
Name:
BDBM477009
Synonyms:
US10882844, Example 1026
Type:
Small organic molecule
Emp. Form.:
C42H41ClN4O7
Mol. Mass.:
749.251
SMILES:
Cc1c(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)cccc1-c1ccc2oc(nc2c1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:45.50,wD:25.27,48.57,(.65,-2.06,;.65,-3.6,;1.98,-4.37,;3.32,-3.6,;4.65,-4.37,;5.98,-3.6,;5.98,-2.06,;7.32,-1.29,;7.32,.25,;5.98,1.02,;5.98,2.56,;4.65,3.33,;4.65,4.87,;5.98,5.64,;7.37,4.89,;7.32,3.33,;8.7,5.66,;10.03,6.43,;8.65,-2.06,;9.98,-1.29,;11.32,-2.06,;11.32,-3.6,;12.65,-4.37,;13.99,-3.6,;13.99,-2.06,;12.65,-1.29,;12.65,.25,;11.32,1.02,;13.99,1.02,;8.65,-3.6,;7.32,-4.37,;7.32,-5.91,;1.98,-5.91,;.65,-6.68,;-.68,-5.91,;-.68,-4.37,;-2.02,-3.6,;-2.02,-2.06,;-3.35,-1.29,;-4.69,-2.06,;-6.15,-1.59,;-7.06,-2.83,;-6.15,-4.08,;-4.69,-3.6,;-3.35,-4.37,;-8.6,-2.83,;-9.37,-4.17,;-10.91,-4.17,;-11.68,-2.83,;-10.91,-1.5,;-9.37,-1.5,;-13.22,-2.83,;-13.99,-1.5,;-13.99,-4.17,)|
Structure:
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