Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSecretin receptor
LigandBDBM50327887
Substrate/Competitorn/a
Meas. Tech.ChEMBL_664975 (CHEMBL1259932)
Ki 3.5±n/a nM
Citation Dong, M; Pinon, DI; Bordner, AJ; Miller, LJ Elucidation of the active conformation of the amino terminus of receptor-bound secretin using intramolecular disulfide bond constraints. Bioorg Med Chem Lett20:6040-4 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Secretin receptor
Name:Secretin receptor
Synonyms:SCT-R | SCTR | SCTR_HUMAN
Type:PROTEIN
Mol. Mass.:50215.16
Organism:Homo sapiens (Human)
Description:ChEMBL_664976
Residue:440
Sequence:
MRPHLSPPLQQLLLPVLLACAAHSTGALPRLCDVLQVLWEEQDQCLQELSREQTGDLGTE
QPVPGCEGMWDNISCWPSSVPGRMVEVECPRFLRMLTSRNGSLFRNCTQDGWSETFPRPN
LACGVNVNDSSNEKRHSYLLKLKVMYTVGYSSSLVMLLVALGILCAFRRLHCTRNYIHMH
LFVSFILRALSNFIKDAVLFSSDDVTYCDAHRAGCKLVMVLFQYCIMANYSWLLVEGLYL
HTLLAISFFSERKYLQGFVAFGWGSPAIFVALWAIARHFLEDVGCWDINANASIWWIIRG
PVILSILINFILFINILRILMRKLRTQETRGNEVSHYKRLARSTLLLIPLFGIHYIVFAF
SPEDAMEIQLFFELALGSFQGLVVAVLYCFLNGEVQLEVQKKWQQWHLREFPLHPVASFS
NSTKASHLEQSQGTCRTSII
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50327887
n/a
NameBDBM50327887
Synonyms:CHEMBL1255581 | HSDGTFTSELSRLQDSARLQRLLQGLV-NH2
TypeSmall organic molecule
Emp. Form.C129H216N42O42
Mol. Mass.3027.3515
SMILESCC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(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](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:81.83,129.133,65.72,156.164,48.53,29.33,112.119,12.17,146.148,4.4,95.100,183.186,wD:189.190,76.76,87.91,167.168,137.142,175.180,197.200,123.125,57.61,152.152,37.44,200.203,21.25,104.108,206.207,(111.34,-17.49,;111.34,-19.03,;112.68,-19.8,;110.01,-19.8,;110.01,-21.34,;108.68,-22.1,;107.35,-21.34,;107.35,-19.8,;106.02,-22.1,;104.68,-21.34,;103.34,-22.1,;103.34,-23.64,;102.01,-21.33,;102.01,-19.79,;103.34,-19.03,;103.34,-17.49,;102.02,-16.72,;104.67,-16.72,;100.68,-22.1,;99.34,-21.34,;99.34,-19.8,;98.01,-22.1,;98.01,-23.64,;99.34,-24.41,;99.34,-25.95,;100.67,-23.64,;96.67,-21.34,;95.33,-22.1,;95.33,-23.64,;94,-21.33,;94,-19.79,;95.33,-19.03,;95.33,-17.49,;96.66,-19.79,;92.67,-22.1,;91.34,-21.34,;91.34,-19.8,;90.01,-22.1,;90.01,-23.64,;91.34,-24.41,;91.34,-25.95,;92.67,-26.72,;92.66,-28.26,;91.34,-29.03,;94.01,-29.03,;88.67,-21.34,;87.33,-22.1,;87.33,-23.64,;86,-21.33,;86,-19.79,;87.33,-19.02,;87.33,-17.48,;86.02,-16.72,;88.66,-16.72,;84.68,-22.11,;83.34,-21.35,;83.34,-19.81,;82.01,-22.12,;82.01,-23.66,;83.34,-24.42,;83.34,-25.96,;84.67,-23.66,;80.68,-21.34,;79.33,-22.1,;79.33,-23.64,;78,-21.33,;78,-19.79,;79.33,-19.03,;79.33,-17.49,;80.67,-16.73,;80.66,-15.19,;79.35,-14.42,;82.01,-14.42,;76.68,-22.11,;75.34,-21.35,;75.34,-19.81,;74.01,-22.11,;74.01,-23.65,;72.68,-21.34,;71.34,-22.1,;71.34,-23.64,;70,-21.33,;70,-19.79,;71.36,-19.03,;68.67,-22.11,;67.33,-21.35,;67.33,-19.81,;66,-22.11,;66,-23.65,;67.33,-24.42,;68.68,-23.65,;67.33,-25.96,;64.67,-21.34,;63.33,-22.1,;63.33,-23.64,;62,-21.34,;62,-19.8,;63.33,-19.03,;63.33,-17.49,;62.02,-16.72,;64.66,-16.73,;60.67,-22.1,;59.33,-21.33,;59.33,-19.79,;58,-22.1,;58,-23.64,;59.33,-24.41,;59.33,-25.95,;60.66,-23.64,;56.67,-21.33,;55.33,-22.08,;55.33,-23.62,;54,-21.32,;54,-19.78,;55.33,-19.01,;55.33,-17.47,;56.68,-16.73,;56.65,-15.19,;55.33,-14.43,;58,-14.43,;52.67,-22.1,;51.34,-21.33,;51.34,-19.79,;50,-22.1,;50,-23.64,;51.37,-24.41,;48.67,-21.32,;47.32,-22.06,;47.32,-23.6,;45.99,-21.3,;45.99,-19.76,;47.32,-18.99,;47.32,-17.45,;48.65,-19.76,;44.67,-22.09,;43.33,-21.33,;43.33,-19.79,;42,-22.1,;42,-23.64,;43.33,-24.41,;43.33,-25.95,;42.05,-26.72,;44.66,-26.71,;40.67,-21.31,;39.32,-22.05,;39.32,-23.59,;37.99,-21.28,;37.99,-19.74,;39.38,-18.98,;36.66,-22.06,;35.33,-21.29,;35.33,-19.75,;34,-22.05,;32.66,-21.28,;31.32,-22.03,;31.32,-23.57,;29.99,-21.26,;29.99,-19.72,;31.32,-18.95,;32.63,-19.72,;33.97,-18.95,;33.97,-17.42,;32.63,-16.65,;31.32,-17.42,;28.67,-22.06,;27.32,-21.3,;27.32,-19.76,;26,-22.07,;24.68,-21.27,;23.33,-22.01,;23.33,-23.55,;21.99,-21.24,;20.66,-22.02,;19.33,-21.26,;19.33,-19.72,;18,-22.02,;18,-23.56,;19.33,-24.33,;20.71,-23.57,;19.33,-25.87,;16.68,-21.22,;15.32,-21.95,;15.32,-23.49,;13.99,-21.18,;13.99,-19.64,;15.37,-18.89,;12.66,-21.95,;11.33,-21.18,;11.33,-19.63,;9.99,-21.95,;8.64,-21.17,;9.99,-23.48,;9.07,-24.71,;9.51,-26.17,;8.25,-27.06,;7.01,-26.13,;7.53,-24.68,;26,-23.61,;24.67,-24.38,;27.39,-24.39,;34,-23.59,;32.66,-24.36,;35.35,-24.37,;111.34,-22.1,;111.34,-23.64,;112.68,-21.34,;114.01,-22.11,;114.01,-23.65,;115.34,-24.41,;112.68,-24.41,;115.34,-21.34,;116.67,-22.11,;115.34,-19.8,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: