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Ligand

NameCHEMBL2371354
Molecular formulaC76H102ClN19O13
IUPAC name(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]-N-[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
Molecular weight1525.22
Hydrogen bond acceptor15
Hydrogen bond donor18
XlogP4.3
SynonymsN/A
Inchi KeyAGJIRZXQQDCFBO-WHSDUDCYSA-N
Inchi IDInChI=1S/C76H102ClN19O13/c1-6-81-76(82-7-2)84-33-13-12-20-56(65(100)89-58(36-44(3)4)66(101)88-57(21-14-34-83-74(78)79)73(108)96-35-15-22-64(96)72(107)94-95-75(80)109)87-68(103)60(39-47-26-31-53(99)32-27-47)91-71(106)63(43-97)93-70(105)62(41-51-42-85-55-19-11-10-18-54(51)55)92-69(104)61(38-46-24-29-52(77)30-25-46)90-67(102)59(86-45(5)98)40-48-23-28-49-16-8-9-17-50(49)37-48/h8-11,16-19,23-32,37,42,44,56-64,85,97,99H,6-7,12-15,20-22,33-36,38-41,43H2,1-5H3,(H,86,98)(H,87,103)(H,88,101)(H,89,100)(H,90,102)(H,91,106)(H,92,104)(H,93,105)(H,94,107)(H4,78,79,83)(H3,80,95,109)(H2,81,82,84)/t56-,57+,58+,59-,60+,61-,62-,63+,64+/m1/s1
PubChem CID118705673
ChEMBLCHEMBL2371354
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
4923Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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