Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 3 [238-349]
Ligand
BDBM422061
Substrate
n/a
Meas. Tech.
Biological Assay 1: affinity of compounds to cIAP1-BIR3, cIAP2-BIR3, XIAP-BIR3
IC50
55.0±n/a nM
Citation
 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S Benzimidazole-linked indole compound acting as novel divalent IAP antagonist US Patent  US10508103 Publication Date 12/17/2019 
Target
Name:
Baculoviral IAP repeat-containing protein 3 [238-349]
Synonyms:
API2 | Apoptosis inhibitor 2 | BIRC3 | BIRC3_HUMAN | Baculoviral IAP repeat-containing protein 3 | HIAP-1 | Inhibitor of apoptosis protein 1 | MIHC | RNF49 | TNFR2-TRAF-signaling complex protein 1 | cIAP-2 BIR3
Type:
BIR3 domain
Mol. Mass.:
12945.93
Organism:
Homo sapiens (Human)
Description:
Human cIAP2 BIR3 domain (residues 238-349) was used in binding assays.
Residue:
112
Sequence:
QLQDTSRYTVSNLSMQTHAARFKTFFNWPSSVLVNPEQLASAGFYYVGNSDDVKCFCCDGGLRCWESGDDPWVQHAKWFPRCEYLIRIKGQEFIRQVQASYPHLLEQLLSTS
  
Inhibitor
Name:
BDBM422061
Synonyms:
US10508103, Embodiment 13
Type:
Small organic molecule
Emp. Form.:
C41H53F4N9O4
Mol. Mass.:
811.911
SMILES:
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC |r|
Structure:
Search PDB for entries with ligand similarity: