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Ligand

NameCHEMBL409205
Molecular formulaC57H83N15O19
IUPAC name(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular weight1282.38
Hydrogen bond acceptor20
Hydrogen bond donor18
XlogP-7.4
SynonymsBDBM50062186
NFVPTNVGSQGY
Inchi KeyBJLULXOJBOTMRW-JQEOTOMTSA-N
Inchi IDInChI=1S/C57H83N15O19/c1-27(2)45(54(87)63-25-44(80)65-38(26-73)52(85)66-34(17-18-40(59)76)49(82)62-24-43(79)64-37(57(90)91)21-31-13-15-32(75)16-14-31)69-51(84)36(23-42(61)78)68-55(88)47(29(5)74)71-53(86)39-12-9-19-72(39)56(89)46(28(3)4)70-50(83)35(20-30-10-7-6-8-11-30)67-48(81)33(58)22-41(60)77/h6-8,10-11,13-16,27-29,33-39,45-47,73-75H,9,12,17-26,58H2,1-5H3,(H2,59,76)(H2,60,77)(H2,61,78)(H,62,82)(H,63,87)(H,64,79)(H,65,80)(H,66,85)(H,67,81)(H,68,88)(H,69,84)(H,70,83)(H,71,86)(H,90,91)/t29-,33+,34+,35+,36+,37+,38+,39+,45+,46+,47+/m1/s1
PubChem CID44274008
ChEMBLCHEMBL409205
IUPHARN/A
BindingDB50062186
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
25268Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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