Reaction Details Report a problem with these data
Target
Nectin-4
Ligand
BDBM50607177
Substrate
n/a
Meas. Tech.
ChEMBL_2262326 (CHEMBL5217337)
Ki
737±n/a nM
Citation
 Mudd, GE; Scott, H; Chen, L; van Rietschoten, K; Ivanova-Berndt, G; Dzionek, K; Brown, A; Watcham, S; White, L; Park, PU; Jeffrey, P; Rigby, M; Beswick, P Discovery of BT8009: A Nectin-4 Targeting Bicycle Toxin Conjugate for the Treatment of Cancer. J Med Chem 65:14337-14347 (2022) [PubMed] 
Target
Name:
Nectin-4
Synonyms:
Ig superfamily receptor LNIR | LNIR | NECT4_HUMAN | NECTIN4 | Nectin cell adhesion molecule 4 | PRR4 | PVRL4 | Poliovirus receptor-related protein 4 | Processed poliovirus receptor-related protein 4 | Synonyms=LNIR
Type:
PROTEIN
Mol. Mass.:
55440.04
Organism:
Human
Description:
ChEMBL_114889
Residue:
510
Sequence:
MPLSLGAEMWGPEAWLLLLLLLASFTGRCPAGELETSDVVTVVLGQDAKLPCFYRGDSGEQVGQVAWARVDAGEGAQELALLHSKYGLHVSPAYEGRVEQPPPPRNPLDGSVLLRNAVQADEGEYECRVSTFPAGSFQARLRLRVLVPPLPSLNPGPALEEGQGLTLAASCTAEGSPAPSVTWDTEVKGTTSSRSFKHSRSAAVTSEFHLVPSRSMNGQPLTCVVSHPGLLQDQRITHILHVSFLAEASVRGLEDQNLWHIGREGAMLKCLSEGQPPPSYNWTRLDGPLPSGVRVDGDTLGFPPLTTEHSGIYVCHVSNEFSSRDSQVTVDVLDPQEDSGKQVDLVSASVVVVGVIAALLFCLLVVVVVLMSRYHRRKAQQMTQKYEEELTLTRENSIRRLHSHHTDPRSQPEESVGLRAEGHPDSLKDNSSCSVMSEEPEGRSYSTLTTVREIETQTELLSPGSGRAEEEEDQDEGIKQAMNHFVQENGTLRAKPTGNGIYINGRGHLV
  
Inhibitor
Name:
BDBM50607177
Synonyms:
CHEMBL5219755
Type:
Small organic molecule
Emp. Form.:
C101H133N23O23S4
Mol. Mass.:
2165.537
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: