Reaction Details  Report a problem with these data
Target
Glucagon receptor
Ligand
BDBM50007451
Substrate
n/a
Meas. Tech.
ChEMBL_1338729 (CHEMBL3242200)
IC50
750±n/a nM
Citation
 DeMong, D; Dai, X; Hwa, J; Miller, M; Lin, SI; Kang, L; Stamford, A; Greenlee, W; Yu, W; Wong, M; Lavey, B; Kozlowski, J; Zhou, G; Yang, DY; Patel, B; Soriano, A; Zhai, Y; Sondey, C; Zhang, H; Lachowicz, J; Grotz, D; Cox, K; Morrison, R; Andreani, T; Cao, Y; Liang, M; Meng, T; McNamara, P; Wong, J; Bradley, P; Feng, KI; Belani, J; Chen, P; Dai, P; Gauuan, J; Lin, P; Zhao, H The discovery of N-((2H-tetrazol-5-yl)methyl)-4-((R)-1-((5r,8R)-8-(tert-butyl)-3-(3,5-dichlorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl)-4,4-dimethylpentyl)benzamide (SCH 900822): a potent and selective glucagon receptor antagonist. J Med Chem 57:2601-10 (2014) [PubMed]  Article
Target
Name:
Glucagon receptor
Synonyms:
GL-R | GLR_MOUSE | Gcgr
Type:
PROTEIN
Mol. Mass.:
54941.21
Organism:
Mus musculus
Description:
ChEMBL_1338729
Residue:
485
Sequence:
MPLTQLHCPHLLLLLLVLSCLPEAPSAQVMDFLFEKWKLYSDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPPNTTANISCPWYLPWYHKVQHRLVFKRCGPDGQWVRGPRGQPWRNASQCQLDDEEIEVQKGVAKMYSSQQVMYTVGYSLSLGALLLALVILLGLRKLHCTRNYIHGNLFASFVLKAGSVLVIDWLLKTRYSQKIGDDLSVSVWLSDGAMAGCRVATVIMQYGIIANYCWLLVEGVYLYSLLSLATFSERSFFSLYLGIGWGAPLLFVIPWVVVKCLFENVQCWTSNDNMGFWWILRIPVFLALLINFFIFVHIIHLLVAKLRAHQMHYADYKFRLARSTLTLIPLLGVHEVVFAFVTDEHAQGTLRSTKLFFDLFLSSFQGLLVAVLYCFLNKEVQAELMRRWRQWQEGKALQEERLASSHGSHMAPAGPCHGDPCEKLQLMSAGSSSGTGCVPSMETSLASSLPRLADSPT
  
Inhibitor
Name:
BDBM50007451
Synonyms:
CHEMBL3237921
Type:
Small organic molecule
Emp. Form.:
C31H35Cl2N7O2
Mol. Mass.:
608.561
SMILES:
CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2[C@H](C1CC1)c1ccc(cc1)C(=O)NCc1nn[nH]n1)c1cc(Cl)cc(Cl)c1 |r,wU:4.3,15.17,wD:7.6,c:11,(3.48,-8.51,;4.67,-9.5,;3.22,-10.03,;4.41,-11.01,;6.11,-8.96,;6.37,-7.45,;7.82,-6.91,;9,-7.9,;8.74,-9.42,;7.29,-9.95,;9.42,-6.42,;10.96,-6.36,;11.49,-7.81,;12.97,-8.22,;10.28,-8.76,;10.34,-10.3,;9.01,-11.08,;7.47,-11.11,;8.26,-12.43,;11.66,-11.08,;11.64,-12.63,;12.97,-13.41,;14.31,-12.66,;14.33,-11.12,;13.01,-10.33,;15.64,-13.45,;15.61,-14.99,;16.97,-12.7,;18.3,-13.48,;19.64,-12.73,;21.04,-13.36,;22.08,-12.23,;21.33,-10.89,;19.82,-11.19,;11.74,-5.03,;10.98,-3.7,;11.75,-2.37,;10.99,-1.03,;13.29,-2.37,;14.06,-3.71,;15.6,-3.72,;13.28,-5.04,)|
Structure:
Search PDB for entries with ligand similarity: