Reaction Details Report a problem with these data
Target
Epithelial discoidin domain-containing receptor 1
Ligand
BDBM347342
Substrate
n/a
Meas. Tech.
ChEMBL_1764329 (CHEMBL4199576)
Kd
40±n/a nM
Citation
Schenck Eidam, H; Russell, J; Raha, K; DeMartino, M; Qin, D; Guan, HA; Zhang, Z; Zhen, G; Yu, H; Wu, C; Pan, Y; Joberty, G; Zinn, N; Laquerre, S; Robinson, S; White, A; Giddings, A; Mohammadi, E; Greenwood-Van Meerveld, B; Oliff, A; Kumar, S; Cheung, M Discovery of a First-in-Class Gut-Restricted RET Kinase Inhibitor as a Clinical Candidate for the Treatment of IBS. ACS Med Chem Lett 9:623-628 (2018) [PubMed] Article
More Info.:
Target
Name:
Epithelial discoidin domain-containing receptor 1
Synonyms:
2.7.10.1 | CD167 antigen-like family member A | CD_antigen=CD167a | Cell adhesion kinase | DDR1_RAT | Ddr1 | Discoidin receptor tyrosine kinase | Eddr1 | Epithelial discoidin domain receptor 1 | Epithelial discoidin domain-containing receptor 1 | Protein-tyrosine kinase 3 | Ptk3 | Tyrosine kinase DDR | Tyrosine-protein kinase CAK
Type:
PROTEIN
Mol. Mass.:
101163.56
Organism:
Rattus norvegicus
Description:
ChEMBL_118104
Residue:
910
Sequence:
MGTGTLSSLLLLLLLVTIGDADMKGHFDPAKCRYALGMQDRTIPDSDISVSSSWSDSTAARHSRLESSDGDGAWCPAGPVFPKEEEYLQVDLRRLHLVALVGTQGRHAGGLGKEFSRSYRLRYSRDGRRWMDWKDRWGQEVISGNEDPGGVVLKDLGPPMVARLVRFYPRADRVMSVCLRVELYGCLWRDGLLSYTAPVGQTMQLSEMVYLNDSTYDGYTAGGLQYGGLGQLADGVVGLDDFRQSQELRVWPGYDYVGWSNHSFPSGYVEMEFEFDRLRSFQTMQVHCNNMHTLGARLPGGVECRFKRGPAMAWEGEPVHHALGGSLGDPRARAISVPLGGHVGRFLQCRFLFAGPWLLFSEISFISDVVNDSSDTFPPAPWWPPGPPPTNFSSLELEPRGQQPVAKAEGSPTAILIGCLVAIILLLLLIIALMLWRLHWRRLLSKAERRVLEEELTVHLSVPGDTILINNRPGPREPPPYQEPRPRGTPTHSAPCVPNGSALLLSNPAYRLLLATYARPPRGPGPPTPAWAKPTNTQACSGDYMEPEKPGAPLLPPPPQNSVPHYAEADIVTLQGVTGGNTYAVPALPPGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVEDPQDLVTSDFPISVQKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDLNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLENKVTQGLPGDRESDQGPTISYPMLLHVGAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRSQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQTLYELMLRCWSREPEQRPPFSQLHRFLADDALNTV
Inhibitor
Name:
BDBM347342
Synonyms:
2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fluorophenyl)-N-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide | US9789100, Example 30
Type:
Small organic molecule
Emp. Form.:
C22H21F4N3O4
Mol. Mass.:
467.4135
SMILES:
CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1