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Ligand

NameCHEMBL263488
Molecular formulaC81H106ClN15O13
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[4-(propanoylamino)phenyl]propanoyl]amino]-3-[4-(propanoylamino)phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(1R)-1-aminoethyl]pyrrolidine-2-carboxamide
Molecular weight1533.28
Hydrogen bond acceptor16
Hydrogen bond donor14
XlogP6.5
SynonymsN/A
Inchi KeyBWPCYKIWDAEZES-OUPPYNCOSA-N
Inchi IDInChI=1S/C81H106ClN15O13/c1-9-71(100)88-60-32-25-53(26-33-60)42-66(75(104)91-63(39-48(3)4)73(102)90-62(20-13-14-37-85-49(5)6)81(110)97-38-16-21-70(97)80(109)86-50(7)83)93-77(106)67(43-54-27-34-61(35-28-54)89-72(101)10-2)95-79(108)69(47-98)96-78(107)68(45-56-17-15-36-84-46-56)94-76(105)65(41-52-23-30-59(82)31-24-52)92-74(103)64(87-51(8)99)44-55-22-29-57-18-11-12-19-58(57)40-55/h11-12,15,17-19,22-36,40,46,48-50,62-70,85,98H,9-10,13-14,16,20-21,37-39,41-45,47,83H2,1-8H3,(H,86,109)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,91,104)(H,92,103)(H,93,106)(H,94,105)(H,95,108)(H,96,107)/t50-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1
PubChem CID44323286
ChEMBLCHEMBL263488
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
443035Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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