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Ligand

NameCH-275
Molecular formulaC74H96N14O15S2
IUPAC name(4S,7R,10S,13R,19R,22S,34S)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid
Molecular weight1485.79
Hydrogen bond acceptor20
Hydrogen bond donor18
XlogP1.6
SynonymsBDBM85080
CH275
L-Cys(1)-L-Lys-L-Phe-L-Phe-D-Trp-4-[(Isopropylamino)methyl]-L-Phe-L-Thr-L-Phe-L-Thr-L-Ser-L-Cys(1)-OH
Inchi KeySYHQUPOPQRNSKD-VCFRAZJESA-N
Inchi IDInChI=1S/C74H96N14O15S2/c1-42(2)77-37-49-29-27-48(28-30-49)35-57-69(97)87-62(43(3)90)72(100)84-58(34-47-22-12-7-13-23-47)70(98)88-63(44(4)91)73(101)85-60(39-89)71(99)86-61(74(102)103)41-105-104-40-52(76)64(92)79-54(26-16-17-31-75)65(93)80-55(32-45-18-8-5-9-19-45)66(94)81-56(33-46-20-10-6-11-21-46)67(95)83-59(68(96)82-57)36-50-38-78-53-25-15-14-24-51(50)53/h5-15,18-25,27-30,38,42-44,52,54-63,77-78,89-91H,16-17,26,31-37,39-41,75-76H2,1-4H3,(H,79,92)(H,80,93)(H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,99)(H,87,97)(H,88,98)(H,102,103)/t43?,44?,52-,54?,55?,56?,57-,58-,59+,60-,61-,62?,63+/m1/s1
PubChem CID91898918
ChEMBLN/A
IUPHARN/A
BindingDB85080
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
326203Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
326205Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556801Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556802Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
556803Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
326207Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
326208Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
326206Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
326209Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
326204Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
326210Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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