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Ligand

NameCHEMBL2373080
Molecular formulaC50H76N16O13S
IUPAC name(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
Molecular weight1141.32
Hydrogen bond acceptor16
Hydrogen bond donor16
XlogP-2.9
SynonymsN/A
Inchi KeyDWCXGQJSUVXISU-UXXNZIAMSA-N
Inchi IDInChI=1S/C50H76N16O13S/c1-25(2)15-34(48(77)63-32(43(53)72)13-14-80-6)64-49(78)36(17-29-20-54-24-58-29)61-41(71)22-57-50(79)42(26(3)4)66-44(73)27(5)59-47(76)35(16-28-19-55-31-10-8-7-9-30(28)31)65-46(75)33(11-12-38(52)68)60-40(70)21-56-45(74)37(23-67)62-39(69)18-51/h7-10,19-20,24-27,32-37,42,55,67H,11-18,21-23,51H2,1-6H3,(H2,52,68)(H2,53,72)(H,54,58)(H,56,74)(H,57,79)(H,59,76)(H,60,70)(H,61,71)(H,62,69)(H,63,77)(H,64,78)(H,65,75)(H,66,73)/t27-,32+,33-,34-,35-,36-,37-,42-/m0/s1
PubChem CID73354832
ChEMBLCHEMBL2373080
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
70479Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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