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Ligand

NameCHEMBL274874
Molecular formulaC46H66N14O9S
IUPAC name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
Molecular weight991.183
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP0.2
SynonymsAcetyl-grp(20-27)(human,porcine,canine)
Ac-His-Trp-Ala-Val-Gly-His-Leu-Met-NH2
BDBM50012306
D07ZUI
Acetyl-GRP(20-27)
[ Show all ]
Inchi KeyPESSCGOLEUORDO-IFIOYJEKSA-N
Inchi IDInChI=1S/C46H66N14O9S/c1-24(2)14-34(43(66)57-33(40(47)63)12-13-70-7)58-45(68)37(17-30-20-49-23-53-30)56-38(62)21-51-46(69)39(25(3)4)60-41(64)26(5)54-42(65)35(15-28-18-50-32-11-9-8-10-31(28)32)59-44(67)36(55-27(6)61)16-29-19-48-22-52-29/h8-11,18-20,22-26,33-37,39,50H,12-17,21H2,1-7H3,(H2,47,63)(H,48,52)(H,49,53)(H,51,69)(H,54,65)(H,55,61)(H,56,62)(H,57,66)(H,58,68)(H,59,67)(H,60,64)/t26-,33-,34-,35-,36-,37-,39-/m0/s1
PubChem CID13049019
ChEMBLCHEMBL274874
IUPHARN/A
BindingDB50012306
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
257928Gastrin-releasing peptide receptorP21729GrprMus musculus (Mouse)384

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