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Ligand

NameCHEMBL2304085
Molecular formulaC64H97N15O12S
IUPAC namemethyl (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
Molecular weight1300.63
Hydrogen bond acceptor16
Hydrogen bond donor10
XlogP1.6
SynonymsN/A
Inchi KeyCCZJELKKROHINC-LOWGOAEZSA-N
Inchi IDInChI=1S/C64H97N15O12S/c1-40(2)36-46(55(82)73-45(28-35-92-4)63(90)91-3)71-53(80)39-70-54(81)47(37-41-18-7-5-8-19-41)74-56(83)48(38-42-20-9-6-10-21-42)75-58(85)50-25-15-32-77(50)61(88)52-27-17-34-79(52)62(89)51-26-16-33-78(51)60(87)44(23-11-12-29-65)72-57(84)49-24-14-31-76(49)59(86)43(66)22-13-30-69-64(67)68/h5-10,18-21,40,43-52H,11-17,22-39,65-66H2,1-4H3,(H,70,81)(H,71,80)(H,72,84)(H,73,82)(H,74,83)(H,75,85)(H4,67,68,69)/t43-,44-,45+,46-,47-,48-,49-,50-,51-,52+/m0/s1
PubChem CID44271093
ChEMBLCHEMBL2304085
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
39076Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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