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Ligand

NameCHEMBL2370299
Molecular formulaC52H71N11O10S2
IUPAC name(4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1074.33
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP1.9
SynonymsBDBM50455451
Inchi KeyAZWRXXBRHTVTIO-LKWHWXDISA-N
Inchi IDInChI=1S/C52H71N11O10S2/c1-28(2)41-50(72)60-40(49(71)62-42(29(3)64)44(55)66)27-74-75-52(4,5)43(63-45(67)35(54)23-30-13-7-6-8-14-30)51(73)59-38(24-31-18-20-33(65)21-19-31)47(69)58-39(25-32-26-56-36-16-10-9-15-34(32)36)48(70)57-37(46(68)61-41)17-11-12-22-53/h6-10,13-16,18-21,26,28-29,35,37-43,56,64-65H,11-12,17,22-25,27,53-54H2,1-5H3,(H2,55,66)(H,57,70)(H,58,69)(H,59,73)(H,60,72)(H,61,68)(H,62,71)(H,63,67)/t29-,35-,37-,38-,39+,40+,41+,42+,43+/m1/s1
PubChem CID73348486
ChEMBLN/A
IUPHARN/A
BindingDB50455451
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
18544Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
18543Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
18546Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
18545Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
18542Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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