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Ligand

NameCHEMBL451932
Molecular formulaC55H74ClN13O10S2
IUPAC name(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-16-[[4-(carbamoylamino)phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1176.85
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP3.1
SynonymsBDBM50243526
(2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-cyclohexylethyl]carbamoyl}-16-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloi
Inchi KeyAKICOXAXTFVPHX-JSTKZNKXSA-N
Inchi IDInChI=1S/C55H74ClN13O10S2/c1-30(70)46-54(78)68-45(52(76)64-41(47(59)71)24-31-9-3-2-4-10-31)29-81-80-28-44(67-48(72)38(58)23-32-14-18-35(56)19-15-32)53(77)65-42(25-33-16-20-36(21-17-33)62-55(60)79)50(74)66-43(26-34-27-61-39-12-6-5-11-37(34)39)51(75)63-40(49(73)69-46)13-7-8-22-57/h5-6,11-12,14-21,27,30-31,38,40-46,61,70H,2-4,7-10,13,22-26,28-29,57-58H2,1H3,(H2,59,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)(H3,60,62,79)/t30-,38-,40+,41+,42+,43-,44-,45+,46+/m1/s1
PubChem CID44560875
ChEMBLCHEMBL451932
IUPHARN/A
BindingDB50243526
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
7568Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
7569Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
7571Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
7570Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
7567Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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