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Ligand

NameBDBM82461
Molecular formulaC59H73N11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1080.3
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP5.0
SynonymsBIM 23073
D-Phe-AIa-Tyr-D-Trp-Lys-Val-Ala-D-Nal-NH2
Inchi KeyUBUDXEAGRDGVRC-YFJLRMNNSA-N
Inchi IDInChI=1S/C59H73N11O9/c1-34(2)51(59(79)65-36(4)53(73)67-48(52(62)72)31-39-21-24-40-16-8-9-17-41(40)28-39)70-56(76)47(20-12-13-27-60)66-58(78)50(32-42-33-63-46-19-11-10-18-44(42)46)69-57(77)49(30-38-22-25-43(71)26-23-38)68-54(74)35(3)64-55(75)45(61)29-37-14-6-5-7-15-37/h5-11,14-19,21-26,28,33-36,45,47-51,63,71H,12-13,20,27,29-32,60-61H2,1-4H3,(H2,62,72)(H,64,75)(H,65,79)(H,66,78)(H,67,73)(H,68,74)(H,69,77)(H,70,76)/t35-,36-,45+,47-,48+,49-,50+,51-/m0/s1
PubChem CID10124376
ChEMBLN/A
IUPHARN/A
BindingDB82461
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
332964Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556838Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
332963Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
332967Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
462104Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
332965Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
332966Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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