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Ligand

NameCHEMBL502219
Molecular formulaC59H70ClN13O10S2
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-naphthalen-2-yl-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 weight1220.86
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP3.2
SynonymsBDBM50243520
(2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]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-pentaaz
Inchi KeyBZAYOOJOPITECN-PUADLLEESA-N
Inchi IDInChI=1S/C59H70ClN13O10S2/c1-32(74)50-58(82)72-49(56(80)68-45(51(63)75)27-35-13-18-36-8-2-3-9-37(36)24-35)31-85-84-30-48(71-52(76)42(62)25-33-14-19-39(60)20-15-33)57(81)69-46(26-34-16-21-40(22-17-34)66-59(64)83)54(78)70-47(28-38-29-65-43-11-5-4-10-41(38)43)55(79)67-44(53(77)73-50)12-6-7-23-61/h2-5,8-11,13-22,24,29,32,42,44-50,65,74H,6-7,12,23,25-28,30-31,61-62H2,1H3,(H2,63,75)(H,67,79)(H,68,80)(H,69,81)(H,70,78)(H,71,76)(H,72,82)(H,73,77)(H3,64,66,83)/t32-,42-,44+,45+,46+,47-,48-,49+,50+/m1/s1
PubChem CID44560869
ChEMBLCHEMBL502219
IUPHARN/A
BindingDB50243520
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
36272Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
36273Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
36269Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
36271Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
36270Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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