Reaction Details
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Epithelial discoidin domain-containing receptor 1
Ligand
BDBM88120
Substrate
n/a
Meas. Tech.
ChEMBL_1842512 (CHEMBL4342939)
Kd
1.8±n/a nM
Citation
Ramurthy, S; Taft, BR; Aversa, RJ; Barsanti, PA; Burger, MT; Lou, Y; Nishiguchi, GA; Rico, A; Setti, L; Smith, A; Subramanian, S; Tamez, V; Tanner, H; Wan, L; Hu, C; Appleton, BA; Mamo, M; Tandeske, L; Tellew, JE; Huang, S; Yue, Q; Chaudhary, A; Tian, H; Iyer, R; Hassan, AQ; Mathews Griner, LA; La Bonte, LR; Cooke, VG; Van Abbema, A; Merritt, H; Gampa, K; Feng, F; Yuan, J; Mishina, Y; Wang, Y; Haling, JR; Vaziri, S; Hekmat-Nejad, M; Polyakov, V; Zang, R; Sethuraman, V; Amiri, P; Singh, M; Sellers, WR; Lees, E; Shao, W; Dillon, MP; Stuart, DD Design and Discovery of J Med Chem 63:2013-2027 (2020) [PubMed] Article More Info.:
Target
Name:
Epithelial discoidin domain-containing receptor 1
Synonyms:
CAK | DDR1 | DDR1_HUMAN | Discoidin domain receptor 1 (DDR1) | Discoidin domain-containing receptor 1 (DDR1) | Discoidin receptor tyrosine kinase | EDDR1 | Epithelial discoidin domain receptor 1 | Epithelial discoidin domain receptor 1 (DDR1) | Epithelial discoidin domain-containing receptor 1 | Epithelial discoidin domain-containing receptor 1 (DDR1) | HGK2 | Mammary carcinoma kinase 10 | NEP | NTRK4 | PTK3A | Protein-tyrosine kinase RTK 6 | RTK6 | TRKE | Tyrosine-protein kinase CAK
Type:
Tyrosine-protein kinase
Mol. Mass.:
101130.02
Organism:
Homo sapiens (Human)
Description:
Q08345
Residue:
913
Sequence:
MGPEALSSLLLLLLVASGDADMKGHFDPAKCRYALGMQDRTIPDSDISASSSWSDSTAARHSRLESSDGDGAWCPAGSVFPKEEEYLQVDLQRLHLVALVGTQGRHAGGLGKEFSRSYRLRYSRDGRRWMGWKDRWGQEVISGNEDPEGVVLKDLGPPMVARLVRFYPRADRVMSVCLRVELYGCLWRDGLLSYTAPVGQTMYLSEAVYLNDSTYDGHTVGGLQYGGLGQLADGVVGLDDFRKSQELRVWPGYDYVGWSNHSFSSGYVEMEFEFDRLRAFQAMQVHCNNMHTLGARLPGGVECRFRRGPAMAWEGEPMRHNLGGNLGDPRARAVSVPLGGRVARFLQCRFLFAGPWLLFSEISFISDVVNNSSPALGGTFPPAPWWPPGPPPTNFSSLELEPRGQQPVAKAEGSPTAILIGCLVAIILLLLLIIALMLWRLHWRRLLSKAERRVLEEELTVHLSVPGDTILINNRPGPREPPPYQEPRPRGNPPHSAPCVPNGSALLLSNPAYRLLLATYARPPRGPGPPTPAWAKPTNTQAYSGDYMEPEKPGAPLLPPPPQNSVPHYAEADIVTLQGVTGGNTYAVPALPPGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDGQAAQGPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTV
Inhibitor
Name:
BDBM88120
Synonyms:
US10245267, Example 1156 | US10709712, Example 1156 | US9694016, 1156
Type:
Small organic molecule
Emp. Form.:
C25H25F3N4O4
Mol. Mass.:
502.4856
SMILES:
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Structure:
