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Ligand

NameCHEMBL538948
Molecular formulaC61H72IN11O10S2
IUPAC name(4R,7S,10S,13R,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-7-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-10-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1310.34
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP4.5
SynonymsCHEMBL1909006
BDBM50294247
(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-phenylpropanamido]-16-benzyl-7-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-10-({4-[(propan-2-ylamino)methyl]phenyl}methyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicos
Inchi KeyCCIBPTVMFATULO-DOIHJTNESA-N
Inchi IDInChI=1S/C61H72IN11O10S2/c1-34(2)65-30-39-20-18-38(19-21-39)27-47-56(78)68-48(28-40-22-23-52(75)43(62)24-40)58(80)72-51(61(83)73-53(35(3)74)54(64)76)33-85-84-32-50(71-55(77)44(63)25-36-12-6-4-7-13-36)60(82)69-46(26-37-14-8-5-9-15-37)57(79)70-49(59(81)67-47)29-41-31-66-45-17-11-10-16-42(41)45/h4-24,31,34-35,44,46-51,53,65-66,74-75H,25-30,32-33,63H2,1-3H3,(H2,64,76)(H,67,81)(H,68,78)(H,69,82)(H,70,79)(H,71,77)(H,72,80)(H,73,83)/t35-,44-,46+,47+,48+,49-,50+,51+,53+/m1/s1
PubChem CID42637433
ChEMBLN/A
IUPHARN/A
BindingDB50294247
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
38575Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
38574Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
38576Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
38573Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
38577Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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