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Ligand

NameCHEMBL409754
Molecular formulaC58H70N12O9S2
IUPAC name(4R,7S,10R,13S,16R,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1143.39
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP3.6
SynonymsH-Npa-cyclo[DCys-Pal-DTrp-Lys-Val-Cys]-Tyr-NH2
BDBM50063831
Inchi KeyBMLPGCYZXNMZMO-IQSBALSSSA-N
Inchi IDInChI=1S/C58H70N12O9S2/c1-33(2)50-58(79)69-49(56(77)65-45(51(61)72)26-34-17-20-40(71)21-18-34)32-81-80-31-48(68-52(73)42(60)25-35-16-19-37-11-3-4-12-38(37)24-35)57(78)66-46(27-36-10-9-23-62-29-36)54(75)67-47(28-39-30-63-43-14-6-5-13-41(39)43)55(76)64-44(53(74)70-50)15-7-8-22-59/h3-6,9-14,16-21,23-24,29-30,33,42,44-50,63,71H,7-8,15,22,25-28,31-32,59-60H2,1-2H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t42-,44-,45+,46-,47+,48-,49+,50+/m1/s1
PubChem CID44270259
ChEMBLN/A
IUPHARN/A
BindingDB50063831
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
27599Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
27597Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
27598Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
27600Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
27596Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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