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Ligand

NameCHEMBL408991
Molecular formulaC77H98N12O13
IUPAC name(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-(propan-2-ylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1399.7
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP7.1
SynonymsN/A
Inchi KeyQDBMWBQDXPNXJX-OTBAWWDMSA-N
Inchi IDInChI=1S/C77H98N12O13/c1-47(2)39-65(77(102)89-38-20-30-67(89)76(101)80-49(5)68(78)93)87-73(98)62(42-52-23-12-8-13-24-52)83-69(94)59(29-18-19-37-79-48(3)4)82-71(96)64(44-54-32-35-58(92)36-33-54)86-75(100)66(46-90)88-74(99)63(43-53-25-14-9-15-26-53)85-72(97)61(41-51-21-10-7-11-22-51)84-70(95)60(81-50(6)91)45-55-31-34-56-27-16-17-28-57(56)40-55/h7-17,21-28,31-36,40,47-49,59-67,79,90,92H,18-20,29-30,37-39,41-46H2,1-6H3,(H2,78,93)(H,80,101)(H,81,91)(H,82,96)(H,83,94)(H,84,95)(H,85,97)(H,86,100)(H,87,98)(H,88,99)/t49-,59-,60-,61-,62-,63-,64-,65-,66-,67+/m0/s1
PubChem CID44376804
ChEMBLCHEMBL408991
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
275345Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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