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Ligand

NameCHEMBL508585
Molecular formulaC70H92N16O20S2
IUPAC name2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1541.72
Hydrogen bond acceptor27
Hydrogen bond donor17
XlogP-6.0
SynonymsBDBM50243510
Inchi KeyCHHIPNJJEBORFF-RAXMXZHQSA-N
Inchi IDInChI=1S/C70H92N16O20S2/c1-41(87)62-70(104)80-57(68(102)76-52(63(72)97)30-43-11-17-47(88)18-12-43)40-108-107-39-56(69(103)77-54(32-44-13-19-48(89)20-14-44)66(100)78-55(33-45-34-73-50-7-3-2-6-49(45)50)67(101)75-51(64(98)81-62)8-4-5-21-71)79-65(99)53(31-42-9-15-46(16-10-42)86(105)106)74-58(90)35-82-22-24-83(36-59(91)92)26-28-85(38-61(95)96)29-27-84(25-23-82)37-60(93)94/h2-3,6-7,9-20,34,41,51-57,62,73,87-89H,4-5,8,21-33,35-40,71H2,1H3,(H2,72,97)(H,74,90)(H,75,101)(H,76,102)(H,77,103)(H,78,100)(H,79,99)(H,80,104)(H,81,98)(H,91,92)(H,93,94)(H,95,96)/t41-,51+,52-,53-,54+,55-,56-,57+,62+/m1/s1
PubChem CID44560859
ChEMBLCHEMBL508585
IUPHARN/A
BindingDB50243510
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
41988Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
41990Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
41987Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
41989Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
41991Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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