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Ligand

NameCHEMBL421493
Molecular formulaC45H57N9O9S2
IUPAC name(4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-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-carboxylic acid
Molecular weight932.125
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP-0.2
SynonymsBDBM50059092
(4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)-2-amino-3-phenyl-propionylamino)-16-benzyl-7-((R)-1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid
Inchi KeyKDRDDUWNTUSPFR-IAGZALEMSA-N
Inchi IDInChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
PubChem CID44311993
ChEMBLCHEMBL421493
IUPHARN/A
BindingDB50059092
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
166626Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
166627Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
166629Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
166625Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
166628Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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