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Target
Programmed cell death 1 ligand/protein 1
Ligand
BDBM474565
Substrate
n/a
Meas. Tech.
Homogenous Time-Resolved Fluorescence (HTRF) binding assay
IC50
3.0±n/a nM
Citation
 Yeung, K; Grant-Young, KA; Sun, L; Langley, DR; St. Laurent, DR; Scola, 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:
BDBM474565
Synonyms:
US10882844, Example 1024
Type:
Small organic molecule
Emp. Form.:
C43H43ClN4O7
Mol. Mass.:
763.277
SMILES:
COC(=O)C1CCC(CC1)c1nc2cc(ccc2o1)-c1cccc(COc2cc(OCc3cncc(c3)C#N)c(CN3CCCC[C@H]3C(O)=O)cc2Cl)c1C |r,wD:46.51,(-14.76,-1.5,;-13.22,-1.5,;-12.45,-2.83,;-13.22,-4.17,;-10.91,-2.83,;-10.14,-1.5,;-8.6,-1.5,;-7.83,-2.83,;-8.6,-4.17,;-10.14,-4.17,;-6.29,-2.83,;-5.38,-4.08,;-3.92,-3.6,;-2.58,-4.37,;-1.25,-3.6,;-1.25,-2.06,;-2.58,-1.29,;-3.92,-2.06,;-5.38,-1.59,;.09,-4.37,;.09,-5.91,;1.42,-6.68,;2.75,-5.91,;2.75,-4.37,;4.09,-3.6,;5.42,-4.37,;6.75,-3.6,;6.75,-2.06,;8.09,-1.29,;8.09,.25,;6.75,1.02,;6.75,2.56,;5.42,3.33,;5.42,4.87,;6.75,5.64,;8.14,4.89,;8.09,3.33,;9.47,5.66,;10.8,6.43,;9.42,-2.06,;10.75,-1.29,;12.09,-2.06,;12.09,-3.6,;13.42,-4.37,;14.76,-3.6,;14.76,-2.06,;13.42,-1.29,;13.42,.25,;12.09,1.02,;14.76,1.02,;9.42,-3.6,;8.09,-4.37,;8.09,-5.91,;1.42,-3.6,;1.42,-2.06,)|
Structure:
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