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Ligand

NameCHEMBL414753
Molecular formulaC74H92N12O13
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-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1357.62
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP5.8
SynonymsN/A
Inchi KeyIQJMWWONKRKMKF-WOZXRXTPSA-N
Inchi IDInChI=1S/C74H92N12O13/c1-45(2)37-62(74(99)86-36-18-28-64(86)73(98)77-46(3)65(76)90)84-70(95)59(40-49-21-10-6-11-22-49)80-66(91)56(27-16-17-35-75)79-68(93)61(42-51-30-33-55(89)34-31-51)83-72(97)63(44-87)85-71(96)60(41-50-23-12-7-13-24-50)82-69(94)58(39-48-19-8-5-9-20-48)81-67(92)57(78-47(4)88)43-52-29-32-53-25-14-15-26-54(53)38-52/h5-15,19-26,29-34,38,45-46,56-64,87,89H,16-18,27-28,35-37,39-44,75H2,1-4H3,(H2,76,90)(H,77,98)(H,78,88)(H,79,93)(H,80,91)(H,81,92)(H,82,94)(H,83,97)(H,84,95)(H,85,96)/t46-,56-,57-,58-,59-,60-,61-,62-,63-,64+/m0/s1
PubChem CID44377047
ChEMBLCHEMBL414753
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
139342Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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