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Ligand

NameCHEMBL447177
Molecular formulaC58H72ClN15O13S2
IUPAC name2-[[(2R)-2-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-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-carbonyl]amino]-3-[4-(carbamoylamino)phenyl]propanoyl]amino]acetic acid
Molecular weight1286.88
Hydrogen bond acceptor17
Hydrogen bond donor17
XlogP-1.7
SynonymsBDBM50243570
2-[(2R)-2-{[(4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-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-pentaazacycloicosan-
Inchi KeyAYMGLXRMUVDDGT-OUPMBCEASA-N
Inchi IDInChI=1S/C58H72ClN15O13S2/c1-30(75)48-56(85)73-46(55(84)69-42(50(79)65-27-47(76)77)23-32-11-17-36(18-12-32)66-57(62)86)29-89-88-28-45(72-49(78)39(61)22-31-9-15-35(59)16-10-31)54(83)70-43(24-33-13-19-37(20-14-33)67-58(63)87)52(81)71-44(25-34-26-64-40-7-3-2-6-38(34)40)53(82)68-41(51(80)74-48)8-4-5-21-60/h2-3,6-7,9-20,26,30,39,41-46,48,64,75H,4-5,8,21-25,27-29,60-61H2,1H3,(H,65,79)(H,68,82)(H,69,84)(H,70,83)(H,71,81)(H,72,78)(H,73,85)(H,74,80)(H,76,77)(H3,62,66,86)(H3,63,67,87)/t30-,39-,41+,42-,43+,44-,45-,46+,48+/m1/s1
PubChem CID44560898
ChEMBLCHEMBL447177
IUPHARN/A
BindingDB50243570
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
17585Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
17583Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
17586Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
17584Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
17587Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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