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Ligand

NameCHEMBL274851
Molecular formulaC56H79N11O17
IUPAC name(4S)-4-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular weight1178.31
Hydrogen bond acceptor18
Hydrogen bond donor13
XlogP-2.2
SynonymsBDBM50062164
FVPTDVGPEAF
Inchi KeyAOTBKOSXAWUJRH-WZZBYECKSA-N
Inchi IDInChI=1S/C56H79N11O17/c1-29(2)44(53(80)58-28-41(69)66-23-13-19-39(66)51(78)60-36(21-22-42(70)71)49(76)59-31(5)47(74)62-38(56(83)84)26-34-17-11-8-12-18-34)63-50(77)37(27-43(72)73)61-54(81)46(32(6)68)65-52(79)40-20-14-24-67(40)55(82)45(30(3)4)64-48(75)35(57)25-33-15-9-7-10-16-33/h7-12,15-18,29-32,35-40,44-46,68H,13-14,19-28,57H2,1-6H3,(H,58,80)(H,59,76)(H,60,78)(H,61,81)(H,62,74)(H,63,77)(H,64,75)(H,65,79)(H,70,71)(H,72,73)(H,83,84)/t31-,32+,35-,36-,37-,38-,39-,40-,44-,45-,46-/m0/s1
PubChem CID44273858
ChEMBLCHEMBL274851
IUPHARN/A
BindingDB50062164
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
10574Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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