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Ligand

NameCHEMBL266469
Molecular formulaC49H64N10O11S
IUPAC name(2S,3R)-2-[[(3R,6S,9R,12S,15R,18S)-9-(4-aminobutyl)-18-[[(2R)-2-amino-3-phenylpropanoyl]amino]-15-benzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carbonyl]amino]-3-hydroxybutanoic acid
Molecular weight1001.17
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP-1.1
Synonyms2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylamino)-15-benzyl-6-(1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carbonyl]-amino}-3-hydroxy-butyric acid
BDBM50059091
Inchi KeyLFOIRPWSTKRJFG-MNTGUQQXSA-N
Inchi IDInChI=1S/C49H64N10O11S/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
PubChem CID44311889
ChEMBLCHEMBL266469
IUPHARN/A
BindingDB50059091
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
186163Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
186165Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
186162Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
186161Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
186164Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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