Reaction Details Report a problem with these data
Target
High affinity nerve growth factor receptor [G595R]
Ligand
BDBM515357
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
0.530±0.08 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:
BDBM515357
Synonyms:
(13E,14E,22R,24S,5S)-12-amino-24,35-difluoro- 5-methyl-4-oxa-7-aza-1(5,3)-pyrazolo[1,5-a] pyrimidine--3(3,2)-pyridine-2(1,2)- pyrrolidylcyclooctanephane-8-one | US11098060, Example 15
Type:
Small organic molecule
Emp. Form.:
C19H19F2N7O2
Mol. Mass.:
415.3967
SMILES:
C[C@H]1CNC(=O)c2c(N)nn3ccc(nc23)N2C[C@@H](F)C[C@@H]2c2cc(F)cnc2O1 |r|
Structure:
Search PDB for entries with ligand similarity: