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Ligand

NameCHEMBL3979188
Molecular formulaC67H106N18O17S
IUPAC name2-[4-[2-[[8-[[(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-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]amino]-1,5-dioxopentan-2-yl]amino]-8-oxooctyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1467.75
Hydrogen bond acceptor23
Hydrogen bond donor16
XlogP-6.7
SynonymsN/A
Inchi KeyOAORHFWEWUNCRA-DNCOJZTMSA-N
Inchi IDInChI=1S/C67H106N18O17S/c1-41(2)30-50(65(100)78-48(61(69)96)19-29-103-6)79-66(101)52(32-45-34-70-40-74-45)77-55(88)35-73-67(102)60(42(3)4)81-62(97)43(5)75-64(99)51(31-44-33-72-47-15-12-11-14-46(44)47)80-63(98)49(17-18-53(68)86)76-54(87)16-10-8-7-9-13-20-71-56(89)36-82-21-23-83(37-57(90)91)25-27-85(39-59(94)95)28-26-84(24-22-82)38-58(92)93/h11-12,14-15,33-34,40-43,48-52,60,72H,7-10,13,16-32,35-39H2,1-6H3,(H2,68,86)(H2,69,96)(H,70,74)(H,71,89)(H,73,102)(H,75,99)(H,76,87)(H,77,88)(H,78,100)(H,79,101)(H,80,98)(H,81,97)(H,90,91)(H,92,93)(H,94,95)/t43-,48-,49-,50-,51-,52-,60-/m0/s1
PubChem CID10124999
ChEMBLCHEMBL3979188
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
542250Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384
542251Neuromedin-B receptorP24053NmbrRattus norvegicus (Rat)390

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