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Ligand

NameCHEMBL3967299
Molecular formulaC68H102N19O20PS
IUPAC name2-[4-[2-[[2-[4-[[(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]carbamoyl]-2-methoxyanilino]-2-oxoethyl]amino]-2-oxoethyl]-7-(carboxymethyl)-10-(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight1568.71
Hydrogen bond acceptor26
Hydrogen bond donor18
XlogP-9.3
SynonymsN/A
Inchi KeyJBRWLKZEEUNOAJ-PHDXWTAFSA-N
Inchi IDInChI=1S/C68H102N19O20PS/c1-39(2)26-50(66(101)79-48(61(70)96)16-25-109-7)81-67(102)52(29-44-31-71-37-75-44)78-56(90)33-74-68(103)60(40(3)4)83-62(97)41(5)76-65(100)51(27-43-30-72-46-11-9-8-10-45(43)46)82-64(99)49(14-15-54(69)88)80-63(98)42-12-13-47(53(28-42)107-6)77-55(89)32-73-57(91)34-84-17-19-85(35-58(92)93)21-23-87(38-108(104,105)106)24-22-86(20-18-84)36-59(94)95/h8-13,28,30-31,37,39-41,48-52,60,72H,14-27,29,32-36,38H2,1-7H3,(H2,69,88)(H2,70,96)(H,71,75)(H,73,91)(H,74,103)(H,76,100)(H,77,89)(H,78,90)(H,79,101)(H,80,98)(H,81,102)(H,82,99)(H,83,97)(H,92,93)(H,94,95)(H2,104,105,106)/t41-,48-,49-,50-,51-,52-,60-/m0/s1
PubChem CID134149923
ChEMBLCHEMBL3967299
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
549751Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384

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