Reaction Details
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Glucagon-like peptide 1 receptor
Ligand
BDBM50121518
Substrate
n/a
Meas. Tech.
ChEMBL_1518304 (CHEMBL3620279)
IC50
0.190000±n/a nM
Citation
Lau, J; Bloch, P; Schäffer, L; Pettersson, I; Spetzler, J; Kofoed, J; Madsen, K; Knudsen, LB; McGuire, J; Steensgaard, DB; Strauss, HM; Gram, DX; Knudsen, SM; Nielsen, FS; Thygesen, P; Reedtz-Runge, S; Kruse, T Discovery of the Once-Weekly Glucagon-Like Peptide-1 (GLP-1) Analogue Semaglutide. J Med Chem 58:7370-80 (2015) [PubMed] Article More Info.:
Target
Name:
Glucagon-like peptide 1 receptor
Synonyms:
GLP-1 receptor | GLP-1-R | GLP-1R | GLP1R | GLP1R_HUMAN | Glucagon-like peptide 1 receptor | Glucagon-like peptide 1 receptor (GLP-1)
Type:
Enzyme
Mol. Mass.:
53035.78
Organism:
Homo sapiens (Human)
Description:
P43220
Residue:
463
Sequence:
MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
Inhibitor
Name:
BDBM50121518
Synonyms:
CHEMBL428139
Type:
Small organic molecule
Emp. Form.:
C151H228N40O47
Mol. Mass.:
3355.6658
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(O)=O |wU:119.121,95.99,89.93,105.111,142.150,8.16,195.200,134.137,69.74,28.34,210.215,223.228,156.159,164.169,167.172,42.43,176.180,2.2,wD:113.117,123.133,101.103,203.208,4.4,181.184,77.87,19.25,47.53,60.66,37.38,151.154,(42.46,-37.33,;42.37,-38.87,;40.99,-39.57,;39.7,-38.74,;40.89,-41.1,;42.2,-41.97,;43.56,-41.27,;43.68,-39.74,;44.87,-42.13,;44.77,-43.67,;43.39,-44.36,;42.09,-43.51,;40.71,-44.19,;40.63,-45.74,;41.92,-46.56,;43.3,-45.88,;46.26,-41.41,;48.15,-38.22,;50.19,-38.22,;47.05,-35.91,;45.48,-36.01,;44.58,-34.7,;43,-34.7,;42.23,-33.32,;42.2,-36.08,;47.71,-34.5,;46.82,-33.25,;45.29,-33.35,;47.5,-31.88,;49.02,-31.71,;49.9,-33.02,;51.45,-32.86,;52.3,-34.13,;53.88,-34.01,;46.61,-30.57,;47.28,-29.18,;48.81,-29.04,;46.4,-27.9,;44.85,-28.05,;47.1,-26.52,;46.18,-25.27,;44.66,-25.37,;46.88,-23.89,;48.41,-23.75,;45.97,-22.6,;46.65,-21.19,;48.2,-21.08,;45.79,-19.94,;44.22,-20.08,;43.56,-21.45,;42.02,-21.57,;41.15,-20.3,;41.38,-22.93,;46.44,-18.58,;45.53,-17.27,;44.01,-17.37,;46.23,-15.88,;45.34,-14.62,;46.02,-13.23,;47.54,-13.1,;45.15,-11.97,;43.61,-12.08,;42.91,-13.45,;41.38,-13.59,;40.52,-12.3,;40.73,-14.97,;45.81,-10.56,;44.94,-9.3,;43.4,-9.41,;45.62,-7.92,;47.14,-7.76,;47.99,-9.02,;47.37,-10.45,;49.57,-8.92,;44.71,-6.63,;45.37,-5.25,;46.93,-5.14,;44.5,-3.99,;43,-4.11,;42.31,-5.49,;43.19,-6.74,;42.53,-8.16,;40.99,-8.27,;40.3,-9.63,;40.07,-6.99,;40.77,-5.6,;45.15,-2.58,;44.28,-1.32,;43.19,-2.21,;44.97,.09,;46.51,.19,;47.37,-1.06,;44.05,1.35,;42.74,.58,;42.74,-.96,;41.38,1.35,;41.38,2.88,;42.74,3.65,;40.07,.58,;38.72,1.35,;38.72,2.88,;37.4,.58,;36.05,1.35,;34.73,.58,;34.73,-.96,;33.4,1.35,;33.4,2.88,;34.73,3.65,;36.05,2.88,;34.73,5.21,;32.06,.58,;30.7,1.35,;30.7,2.88,;29.39,.58,;29.39,-.96,;30.7,-1.72,;28.01,1.35,;26.72,.58,;26.72,-.96,;25.34,1.35,;24.03,.58,;22.71,1.35,;22.71,2.88,;21.34,.58,;21.34,-.96,;22.71,-1.72,;24.03,-.96,;25.34,-1.72,;25.34,-3.24,;24.03,-4.06,;22.71,-3.24,;20.04,1.35,;18.69,.58,;18.69,-.96,;17.34,1.35,;16,.58,;14.66,1.35,;14.66,2.88,;13.31,.58,;11.99,1.35,;10.66,.58,;10.66,-.96,;9.3,1.35,;9.3,2.88,;10.66,3.65,;10.66,5.21,;9.3,5.97,;11.99,5.97,;7.98,.58,;6.63,1.35,;6.63,2.88,;5.32,.58,;5.32,-.96,;3.97,1.35,;2.61,.58,;2.61,-.96,;1.3,1.35,;-.02,.58,;1.3,2.88,;2.61,3.65,;4.03,3.04,;5.09,4.18,;4.29,5.54,;2.79,5.21,;17.34,2.88,;16,3.65,;18.69,3.65,;25.34,2.88,;24.03,3.65,;26.72,3.65,;37.4,-.96,;36.05,-1.72,;38.72,-1.72,;39.51,-41.81,;39.42,-43.34,;38.22,-40.98,;36.86,-41.69,;36.79,-43.21,;35.55,-40.81,;35.64,-39.3,;34.19,-41.52,;32.88,-40.66,;32.98,-39.14,;31.68,-38.27,;30.24,-38.81,;29.25,-37.61,;30.14,-36.35,;29.72,-34.87,;30.8,-33.77,;32.32,-34.17,;32.71,-35.65,;31.62,-36.77,;31.52,-41.36,;31.41,-42.91,;30.21,-40.54,;28.83,-41.24,;28.76,-42.74,;27.37,-43.45,;27.31,-44.97,;26.09,-42.6,;27.52,-40.38,;27.62,-38.81,;26.16,-41.08,;24.85,-40.23,;24.97,-38.71,;23.66,-37.83,;26.33,-37.99,;23.49,-40.94,;23.42,-42.46,;22.22,-40.07,;20.82,-40.78,;20.71,-42.3,;19.35,-43.02,;19.28,-44.54,;17.91,-45.25,;17.83,-46.77,;19.51,-39.93,;19.62,-38.38,;18.15,-40.65,;16.87,-39.79,;15.48,-40.49,;15.41,-42.03,;14.17,-39.63,;12.81,-40.33,;12.72,-41.87,;11.36,-42.58,;11.27,-44.1,;9.89,-44.8,;9.8,-46.34,;8.44,-47.05,;11.1,-47.16,;11.5,-39.5,;11.6,-37.94,;10.17,-40.21,;8.86,-39.35,;7.45,-40.07,;6.14,-39.2,;7.38,-41.57,)|
Structure:
