Reaction Details Report a problem with these data
Target
High affinity nerve growth factor receptor
Ligand
BDBM398974
Substrate
n/a
Meas. Tech.
TrkA Omnia Assay
IC50
<100±n/a nM
Citation
 Allen, S; Andrews, SW; Blake, JF; Condroski, KR; Haas, J; Huang, L; Jiang, Y; Kercher, T; Kolakowski, GR; Seo, J Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors US Patent  US10323022 Publication Date 6/18/2019 
Target
Name:
High affinity nerve growth factor receptor
Synonyms:
2.7.10.1 | MTC | NTRK1 | NTRK1/NTRK2 | NTRK1_HUMAN | Nerve growth factor receptor Trk-A | Neurotrophic tyrosine kinase receptor type 1 | Neurotrophic tyrosine kinase receptor type 1 (TrkA) | Synonyms=MTC | TRK | TRK1-transforming tyrosine kinase protein | TRKA | TRKA GN | Trk-A | Tropomyosin alpha-3 chain/High affinity nerve growth factor receptor | Tropomyosin-related kinase A | Tropomyosin-related kinase A (TrkA) | Tyrosine kinase receptor | Tyrosine kinase receptor (Trk) | Tyrosine kinase receptor A | Tyrosine kinase receptor A (Trk A) | Tyrosine kinase receptor A (Trk-A) | Tyrosine kinase receptor A (TrkA) | gp140trk | p140-TrkA
Type:
n/a
Mol. Mass.:
87498.18
Organism:
Homo sapiens (Human)
Description:
P04629
Residue:
796
Sequence:
MLRGGRRGQLGWHSWAAGPGSLLAWLILASAGAAPCPDACCPHGSSGLRCTRDGALDSLHHLPGAENLTELYIENQQHLQHLELRDLRGLGELRNLTIVKSGLRFVAPDAFHFTPRLSRLNLSFNALESLSWKTVQGLSLQELVLSGNPLHCSCALRWLQRWEEEGLGGVPEQKLQCHGQGPLAHMPNASCGVPTLKVQVPNASVDVGDDVLLRCQVEGRGLEQAGWILTELEQSATVMKSGGLPSLGLTLANVTSDLNRKNVTCWAENDVGRAEVSVQVNVSFPASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPFGQASASIMAAFMDNPFEFNPEDPIPVSFSPVDTNSTSGDPVEKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKCGRRNKFGINRPAVLAPEDGLAMSLHFMTLGGSSLSPTEGKGSGLQGHIIENPQYFSDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSHGPDAKLLAGGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
  
Inhibitor
Name:
BDBM398974
Synonyms:
US10323022, Example 451
Type:
Small organic molecule
Emp. Form.:
C28H33F2N5O3
Mol. Mass.:
525.5901
SMILES:
COCCN1C[C@@H](NC(=O)Nc2c(C)c(nn2-c2ccccc2)[C@H]2C[C@H](O)C2)[C@@H](C1)c1ccc(F)c(F)c1 |r,wU:28.33,23.24,wD:6.6,25.27,(-6.93,6.86,;-5.6,7.63,;-4.26,6.86,;-2.93,7.63,;-1.6,6.86,;-1.6,5.32,;-.13,4.84,;.27,3.36,;-.82,2.27,;-2.31,2.67,;-.42,.78,;-.82,-.71,;.42,-1.61,;1.76,-.84,;-.05,-3.08,;-1.59,-3.08,;-2.07,-1.61,;-3.56,-1.21,;-3.96,.27,;-5.44,.67,;-6.53,-.42,;-6.13,-1.9,;-4.65,-2.3,;.72,-4.41,;2.2,-4.81,;1.81,-6.3,;2.58,-7.63,;.32,-5.9,;.77,6.09,;-.13,7.34,;2.31,6.09,;3.08,7.42,;4.62,7.42,;5.39,6.09,;6.93,6.09,;4.62,4.76,;5.39,3.42,;3.08,4.76,)|
Structure:
Search PDB for entries with ligand similarity: