Reaction Details Report a problem with these data
Target
High affinity nerve growth factor receptor [G595R]
Ligand
BDBM515351
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
0.840±0.14 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 [G595R]
Synonyms:
High affinity nerve growth factor receptor (TrkA)(G595R) | MTC | NTRK1 | NTRK1_HUMAN | TRK | TRKA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
87598.32
Organism:
Homo sapiens (Human)
Description:
P04629[G595R]
Residue:
796
Sequence:
MLRGGRRGQLGWHSWAAGPGSLLAWLILASAGAAPCPDACCPHGSSGLRCTRDGALDSLHHLPGAENLTELYIENQQHLQHLELRDLRGLGELRNLTIVKSGLRFVAPDAFHFTPRLSRLNLSFNALESLSWKTVQGLSLQELVLSGNPLHCSCALRWLQRWEEEGLGGVPEQKLQCHGQGPLAHMPNASCGVPTLKVQVPNASVDVGDDVLLRCQVEGRGLEQAGWILTELEQSATVMKSGGLPSLGLTLANVTSDLNRKNVTCWAENDVGRAEVSVQVNVSFPASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPFGQASASIMAAFMDNPFEFNPEDPIPVSFSPVDTNSTSGDPVEKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKCGRRNKFGINRPAVLAPEDGLAMSLHFMTLGGSSLSPTEGKGSGLQGHIIENPQYFSDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHRDLNRFLRSHGPDAKLLAGGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
  
Inhibitor
Name:
BDBM515351
Synonyms:
(13E,14E,22R,24R)-12-amino-35fluoro-24- hydroxy-4-oxa-7-aza-1(5,3)-pyrazolo[1,5-a] pyrimidine-3(3,2)-pyridine-2(1,2)- pyrrolidylcyclooctanephane-8-one | US11098060, Example 9
Type:
Small organic molecule
Emp. Form.:
C18H18FN7O3
Mol. Mass.:
399.379
SMILES:
Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1[C@H]1C[C@@H](O)CN31 |r|
Structure:
Search PDB for entries with ligand similarity: