Reaction Details Report a problem with these data
Target
High affinity nerve growth factor receptor [G667C]
Ligand
BDBM515372
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
0.430±0.06 nM
Citation
 Dai, L; Duan, X; Yang, Y; Liu, X; Li, H; Zhao, N; Sun, Y; Kong, F; Zhang, J; Zhu, Y; Yang, L; Liu, F Macrocycle containing aminopyrazole and pyrimidine and pharmaceutical composition and use thereof US Patent  US11098060 Publication Date 8/24/2021 
Target
Name:
High affinity nerve growth factor receptor [G667C]
Synonyms:
High affinity nerve growth factor receptor (TrkA)(G667C) | MTC | NTRK1 | NTRK1_HUMAN | TRK | TRKA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
87544.27
Organism:
Homo sapiens (Human)
Description:
P04629 (G667C)
Residue:
796
Sequence:
MLRGGRRGQLGWHSWAAGPGSLLAWLILASAGAAPCPDACCPHGSSGLRCTRDGALDSLHHLPGAENLTELYIENQQHLQHLELRDLRGLGELRNLTIVKSGLRFVAPDAFHFTPRLSRLNLSFNALESLSWKTVQGLSLQELVLSGNPLHCSCALRWLQRWEEEGLGGVPEQKLQCHGQGPLAHMPNASCGVPTLKVQVPNASVDVGDDVLLRCQVEGRGLEQAGWILTELEQSATVMKSGGLPSLGLTLANVTSDLNRKNVTCWAENDVGRAEVSVQVNVSFPASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPFGQASASIMAAFMDNPFEFNPEDPIPVSFSPVDTNSTSGDPVEKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKCGRRNKFGINRPAVLAPEDGLAMSLHFMTLGGSSLSPTEGKGSGLQGHIIENPQYFSDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSHGPDAKLLAGGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKICDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
  
Inhibitor
Name:
BDBM515372
Synonyms:
(13E,14E,22R,5S)-12-amino-35- fluoro-5-methyl-4-oxa-7-aza-1(5,3)- pyrazolo[1,5-a]pyrimidine- (1,2)-pyrrolidine-3(1,2)- benzocyclooctanephane-8-one | US11098060, Example 32
Type:
Small organic molecule
Emp. Form.:
C20H21FN6O2
Mol. Mass.:
396.4181
SMILES:
C[C@H]1CNC(=O)c2c(N)nn3ccc(nc23)N2CCC[C@@H]2c2cc(F)ccc2O1 |r|
Structure:
Search PDB for entries with ligand similarity: