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Target
Programmed cell death protein 1
Ligand
BDBM50507498
Substrate
n/a
Meas. Tech.
ChEMBL_1830210 (CHEMBL4330218)
Kd
3390±n/a nM
Citation
 Wang, T; Wu, X; Guo, C; Zhang, K; Xu, J; Li, Z; Jiang, S Development of Inhibitors of the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Signaling Pathway. J Med Chem 62:1715-1730 (2019) [PubMed]  Article 
Target
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
  
Inhibitor
Name:
BDBM50507498
Synonyms:
CHEMBL4436009
Type:
Small organic molecule
Emp. Form.:
C110H152N26O32
Mol. Mass.:
2350.5389
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O |r|
Structure:
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