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Ligand

NameBDBM82255
Molecular formulaC57H69N11O8S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-7-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1100.37
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP3.7
SynonymsD-Phe-Cys-Tyr-D-Trp-Lys-Abu-Cys-Nal-NH
NC8-12
Inchi KeyMTTNNTITUTWIRW-UHFFFAOYSA-N
Inchi IDInChI=1S/C57H69N11O8S2/c58-26-9-8-20-45-53(72)63-46(21-11-27-59)54(73)68-49(52(71)62-31-38-16-10-15-37-14-4-5-17-41(37)38)33-77-78-34-50(67-51(70)43(60)28-35-12-2-1-3-13-35)57(76)65-47(29-36-22-24-40(69)25-23-36)55(74)66-48(56(75)64-45)30-39-32-61-44-19-7-6-18-42(39)44/h1-7,10,12-19,22-25,32,43,45-50,61,69H,8-9,11,20-21,26-31,33-34,58-60H2,(H,62,71)(H,63,72)(H,64,75)(H,65,76)(H,66,74)(H,67,70)(H,68,73)
PubChem CID57339550
ChEMBLN/A
IUPHARN/A
BindingDB82255
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
213988Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
213991Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556323Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556324Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
213989Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
213992Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
213987Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
213993Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
213986Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
213990Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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