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Ligand

NameazaFVPTDVGPFAF-NH2
Molecular formulaC59H81N13O14
IUPAC name(3S)-3-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[amino(benzyl)carbamoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1196.37
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-1.1
SynonymsCHEMBL438426
BDBM50422952
Inchi KeyCXXKKQKRIBSWTK-HXAGHWRPSA-N
Inchi IDInChI=1S/C59H81N13O14/c1-33(2)47(67-53(80)42(30-46(75)76)66-57(84)49(36(6)73)68-55(82)44-25-17-27-71(44)58(85)48(34(3)4)69-59(86)72(61)32-39-22-14-9-15-23-39)56(83)62-31-45(74)70-26-16-24-43(70)54(81)65-41(29-38-20-12-8-13-21-38)52(79)63-35(5)51(78)64-40(50(60)77)28-37-18-10-7-11-19-37/h7-15,18-23,33-36,40-44,47-49,73H,16-17,24-32,61H2,1-6H3,(H2,60,77)(H,62,83)(H,63,79)(H,64,78)(H,65,81)(H,66,84)(H,67,80)(H,68,82)(H,69,86)(H,75,76)/t35-,36+,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1
PubChem CID11297807
ChEMBLCHEMBL438426
IUPHARN/A
BindingDB50422952
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
53224Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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