Reaction Details Report a problem with these data
Target
High affinity nerve growth factor receptor [G595R]
Ligand
BDBM515360
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.24±0.15 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:
BDBM515360
Synonyms:
(13E,14E,22R,24S)-12-amino-24,35-difluoro- 6,6-dimethyl-4-oxa-8-aza-1(5,3 )-pyrazolo [1,5-a]pyrimidine-3(3,2)-pyridine-2(1,2)- pyrrolidylcyclononanephane-9-one | US11098060, Example 18
Type:
Small organic molecule
Emp. Form.:
C21H23F2N7O2
Mol. Mass.:
443.4498
SMILES:
CC1(C)CNC(=O)c2c(N)nn3ccc(nc23)N2C[C@@H](F)CC2c2cc(F)cnc2OC1 |r|
Structure:
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