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Ligand

NameCHEMBL2371508
Molecular formulaC73H92ClN19O14
IUPAC name(1S,7S,10S,15S,18S,23S,30S,33R)-15-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-23-[3-(diaminomethylideneamino)propyl]-30-(2-methylpropyl)-2,8,13,16,21,24,29,32,35-nonaoxo-33-(pyridin-3-ylmethyl)-3,9,12,17,22,25,28,31,34-nonazatricyclo[16.9.8.03,7]pentatriacontane-10-carboxamide
Molecular weight1495.11
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP0.2
SynonymsN/A
Inchi KeyARPLADPDOSBUQR-LVDHPHBQSA-N
Inchi IDInChI=1S/C73H92ClN19O14/c1-40(2)30-52-65(100)86-51-24-28-80-63(98)49(14-8-27-81-73(76)77)84-60(95)23-22-50(64(99)88-55(68(103)87-52)34-44-10-6-25-78-37-44)85-70(105)57(36-61(96)82-39-58(62(75)97)92-71(106)59-15-9-29-93(59)72(51)107)91-69(104)56(35-45-11-7-26-79-38-45)90-67(102)54(32-42-17-20-48(74)21-18-42)89-66(101)53(83-41(3)94)33-43-16-19-46-12-4-5-13-47(46)31-43/h4-7,10-13,16-21,25-26,31,37-38,40,49-59H,8-9,14-15,22-24,27-30,32-36,39H2,1-3H3,(H2,75,97)(H,80,98)(H,82,96)(H,83,94)(H,84,95)(H,85,105)(H,86,100)(H,87,103)(H,88,99)(H,89,101)(H,90,102)(H,91,104)(H,92,106)(H4,76,77,81)/t49-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59-/m0/s1
PubChem CID73353148
ChEMBLCHEMBL2371508
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12652Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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