Reaction Details
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Programmed cell death 1 ligand/protein 1
Ligand
BDBM452426
Substrate
n/a
Meas. Tech.
Biochemical Protein-Protein Interaction Assay
IC50
0.064±n/a nM
Citation
Aktoudianakis, E; Cho, A; Du, Z; Graupe, M; Lad, LT; Machicao Tello, PA; Medley, JW; Metobo, SE; Mukherjee, PK; Naduthambi, D; Parkhill, EQ; Phillips, BW; Simonovich, SP; Squires, NH; Wang, P; Watkins, WJ; Xu, J; Yang, KS; Ziebenhaus, CA PD-1/PD-L1 inhibitors US Patent US11555029 Publication Date 1/17/2023 More Info.:
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:
BDBM452426
Synonyms:
US10710986, Example 567 | US11555029, No. 567
Type:
Small organic molecule
Emp. Form.:
C35H39Cl2N7O4
Mol. Mass.:
692.635
SMILES:
COc1nc(cnc1CNC[C@H]1C[C@](C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNC[C@@H]2CCC(=O)N2)c(OC)n1 |r,wU:38.41,11.11,13.14,wD:13.15,(8.97,-1.93,;8.97,-.38,;7.63,.38,;6.3,-.38,;4.97,.38,;4.97,1.93,;6.3,2.69,;7.63,1.93,;8.97,2.69,;10.3,1.93,;11.63,2.69,;12.97,1.92,;14.46,2.32,;14.85,.84,;16.34,1.23,;15.25,-.65,;13.37,.44,;3.63,-.38,;3.63,-1.93,;2.3,-2.69,;.96,-1.93,;.96,-.38,;2.3,.38,;2.3,1.93,;-.37,.38,;-.37,1.93,;-1.7,2.69,;-3.04,1.93,;-3.04,.38,;-1.7,-.38,;-1.7,-1.93,;-4.37,-.38,;-4.37,-1.93,;-5.7,-2.69,;-7.04,-1.93,;-8.37,-2.69,;-9.7,-1.93,;-11.04,-2.69,;-12.37,-1.93,;-12.53,-.39,;-14.04,-.07,;-14.81,-1.41,;-16.34,-1.57,;-13.78,-2.55,;-7.04,-.38,;-8.37,.38,;-8.37,1.93,;-5.7,.38,)|
Structure:
