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Ligand

NameBim-23003
Molecular formulaC71H95ClN16O17S2
IUPAC name(4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34S,37R)-37-amino-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25-dibenzyl-28-[(4-chlorophenyl)methyl]-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
Molecular weight1544.21
Hydrogen bond acceptor22
Hydrogen bond donor20
XlogP-1.6
SynonymsBDBM82469
L-Cys(1)-L-Lys-L-Asn-4-Chloro-L-Phe-L-Phe-D-Trp-L-Lys-L-Thr-L-Phe-L-Thr-L-Ser-L-Cys(1)-OH
Inchi KeyYQLNLYWSBOYGSN-CSFSASDCSA-N
Inchi IDInChI=1S/C71H95ClN16O17S2/c1-38(90)58-69(102)84-52(30-41-17-7-4-8-18-41)67(100)88-59(39(2)91)70(103)85-55(35-89)68(101)86-56(71(104)105)37-107-106-36-46(75)60(93)78-48(21-11-13-27-73)61(94)83-54(33-57(76)92)66(99)81-51(31-42-23-25-44(72)26-24-42)63(96)80-50(29-40-15-5-3-6-16-40)64(97)82-53(32-43-34-77-47-20-10-9-19-45(43)47)65(98)79-49(62(95)87-58)22-12-14-28-74/h3-10,15-20,23-26,34,38-39,46,48-56,58-59,77,89-91H,11-14,21-22,27-33,35-37,73-75H2,1-2H3,(H2,76,92)(H,78,93)(H,79,98)(H,80,96)(H,81,99)(H,82,97)(H,83,94)(H,84,102)(H,85,103)(H,86,101)(H,87,95)(H,88,100)(H,104,105)/t38-,39-,46+,48+,49+,50+,51+,52+,53-,54+,55+,56+,58+,59+/m1/s1
PubChem CID16143489
ChEMBLN/A
IUPHARN/A
BindingDB82469
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
557211Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
416683Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
416684Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
462751Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
416685Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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