Reaction Details Report a problem with these data
Target
Nectin-4
Ligand
BDBM50607213
Substrate
n/a
Meas. Tech.
ChEMBL_2262326 (CHEMBL5217337)
Ki
>1065±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]
More Info.:
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:
BDBM50607213
Synonyms:
CHEMBL5220486
Type:
Small organic molecule
Emp. Form.:
C103H138N24O25S4
Mol. Mass.:
2240.604
SMILES:
[H][C@@]12CCCN1C(=O)[C@@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(O)=O)NC(C)=O |r|