Reaction Details Report a problem with these data
Target
Tumor necrosis factor ligand superfamily member 11
Ligand
BDBM50525150
Substrate
n/a
Meas. Tech.
ChEMBL_1895786 (CHEMBL4397821)
Kd
284400±n/a nM
Citation
 Jiang, M; Peng, L; Yang, K; Wang, T; Yan, X; Jiang, T; Xu, J; Qi, J; Zhou, H; Qian, N; Zhou, Q; Chen, B; Xu, X; Deng, L; Yang, C Development of Small-Molecules Targeting Receptor Activator of Nuclear Factor-?B Ligand (RANKL)-Receptor Activator of Nuclear Factor-?B (RANK) Protein-Protein Interaction by Structure-Based Virtual Screening and Hit Optimization. J Med Chem 62:5370-5381 (2019) [PubMed]  Article 
Target
Name:
Tumor necrosis factor ligand superfamily member 11
Synonyms:
CD_antigen=CD254 | ODF | OPGL | RANKL | TNF11_HUMAN | TNFSF11 | TRANCE
Type:
PROTEIN
Mol. Mass.:
35484.75
Organism:
Homo sapiens
Description:
ChEMBL_106141
Residue:
317
Sequence:
MRRASRDYTKYLRGSEEMGGGPGAPHEGPLHAPPPPAPHQPPAASRSMFVALLGLGLGQVVCSVALFFYFRAQMDPNRISEDGTHCIYRILRLHENADFQDTTLESQDTKLIPDSCRRIKQAFQGAVQKELQHIVGSQHIRAEKAMVDGSWLDLAKRSKLEAQPFAHLTINATDIPSGSHKVSLSSWYHDRGWAKISNMTFSNGKLIVNQDGFYYLYANICFRHHETSGDLATEYLQLMVYVTKTSIKIPSSHTLMKGGSTKYWSGNSEFHFYSINVGGFFKLRSGEEISIEVSNPSLLDPDQDATYFGAFKVRDID
  
Inhibitor
Name:
BDBM50525150
Synonyms:
CHEMBL4469489
Type:
Small organic molecule
Emp. Form.:
C67H96N14O18S2
Mol. Mass.:
1449.692
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Structure:
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