Reaction Details
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Programmed cell death 1 ligand 1/2
Ligand
BDBM479636
Substrate
n/a
Meas. Tech.
Amplified Luminescent Proximity Homogeneous Assay
IC50
94.0±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 US10899735 Publication Date 1/26/2021 More Info.:
Target
Name:
Programmed cell death 1 ligand 1/2
Synonyms:
PD-1/PD-L1
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
Component 2
Name:
Programmed cell death 1 ligand 2
Synonyms:
B7-DC | B7DC | Butyrophilin B7-DC | CD273 | CD_antigen=CD273 | PD-1 ligand 2 | PD-L2 | PD1L2_HUMAN | PDCD1 ligand 2 | PDCD1L2 | PDCD1LG2 | PDL2 | Programmed cell death 1 ligand 2 | Programmed death ligand 2
Type:
PROTEIN
Mol. Mass.:
30963.56
Organism:
Homo sapiens
Description:
ChEMBL_114967
Residue:
273
Sequence:
MIFLLLMLSLELQLHQIAALFTVTVPKELYIIEHGSNVTLECNFDTGSHVNLGAITASLQKVENDTSPHRERATLLEEQLPLGKASFHIPQVQVRDEGQYQCIIIYGVAWDYKYLTLKVKASYRKINTHILKVPETDEVELTCQATGYPLAEVSWPNVSVPANTSHSRTPEGLYQVTSVLRLKPPPGRNFSCVFWNTHVRELTLASIDLQSQMEPRTHPTWLLHIFIPFCIIAFIFIATVIALRKQLCQKLYSSKDTTKRPVTTTKREVNSAI
Inhibitor
Name:
BDBM479636
Synonyms:
US10899735, No. 95
Type:
Small organic molecule
Emp. Form.:
C30H25Cl2FN6O2
Mol. Mass.:
591.463
SMILES:
COc1nc(ccc1C1=NCCN1)-c1cccc(c1Cl)-c1c(F)ccc(c1Cl)-c1ccc(C2=NCCN2)c(OC)n1 |t:9,36,(-4.67,-5.01,;-6,-4.24,;-6,-2.7,;-4.67,-1.93,;-4.67,-.39,;-6,.38,;-7.34,-.39,;-7.34,-1.93,;-8.67,-2.7,;-8.83,-4.23,;-10.34,-4.55,;-11.11,-3.21,;-10.08,-2.07,;-3.33,.38,;-3.33,1.92,;-2,2.69,;-.67,1.92,;-.67,.38,;-2,-.39,;-2,-1.93,;.67,-.39,;.67,-1.93,;-.67,-2.7,;2,-2.7,;3.33,-1.93,;3.33,-.39,;2,.39,;2,1.93,;4.67,.38,;6,-.39,;7.34,.38,;7.34,1.92,;8.67,2.69,;8.83,4.23,;10.34,4.55,;11.11,3.21,;10.08,2.07,;6,2.7,;6,4.24,;4.67,5.01,;4.67,1.92,)|
Structure:
