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Ligand

NameBIM 23197
Molecular formulaC57H81N13O13S3
IUPAC name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-7-ethyl-19-[[(2R)-2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylsulfonylamino]-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1252.53
Hydrogen bond acceptor19
Hydrogen bond donor14
XlogP0.0
SynonymsBIM-23197
168016-90-8
Inchi KeyABXKTKZCYNKQOZ-RPPDHWCPSA-N
Inchi IDInChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
PubChem CID9855144
ChEMBLN/A
IUPHARN/A
BindingDB85052
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1287Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555482Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
1288Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
1286Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
1285Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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