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Ligand

NameCHEMBL3144547
Molecular formulaC77H119N21O28S
IUPAC name2-[2-[[2-[[(5S)-6-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-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]amino]-1,5-dioxopentan-2-yl]amino]-5-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-6-oxohexyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Molecular weight1818.98
Hydrogen bond acceptor36
Hydrogen bond donor22
XlogP-16.9
SynonymsN/A
Inchi KeyNHALKMCFBRPIRK-BASLQXLTSA-N
Inchi IDInChI=1S/C77H119N21O28S/c1-44(2)27-54(75(124)88-51(70(79)119)16-26-127-6)90-76(125)56(29-48-31-80-43-84-48)87-58(100)32-83-77(126)69(45(3)4)92-71(120)46(5)85-74(123)55(28-47-30-82-50-12-8-7-11-49(47)50)91-73(122)53(14-15-57(78)99)89-72(121)52(86-60(102)34-96(38-64(109)110)23-19-94(36-62(105)106)21-25-98(41-67(115)116)42-68(117)118)13-9-10-17-81-59(101)33-95(37-63(107)108)22-18-93(35-61(103)104)20-24-97(39-65(111)112)40-66(113)114/h7-8,11-12,30-31,43-46,51-56,69,82H,9-10,13-29,32-42H2,1-6H3,(H2,78,99)(H2,79,119)(H,80,84)(H,81,101)(H,83,126)(H,85,123)(H,86,102)(H,87,100)(H,88,124)(H,89,121)(H,90,125)(H,91,122)(H,92,120)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)/t46-,51-,52-,53-,54-,55-,56-,69-/m0/s1
PubChem CID16156845
ChEMBLCHEMBL3144547
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
223110Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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