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Ligand

NameCHEMBL2370320
Molecular formulaC59H74N12O11
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
Molecular weight1127.31
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP3.0
SynonymsN/A
Inchi KeyBAVDQVRNWQHZIK-LJDQXCCASA-N
Inchi IDInChI=1S/C59H74N12O11/c1-34(2)26-45(52(76)66-44(14-8-24-63-59(61)62)58(82)71-25-9-15-50(71)57(81)64-32-51(60)75)67-55(79)48(31-38-17-21-40-11-5-7-13-42(40)28-38)68-54(78)47(29-36-18-22-43(74)23-19-36)69-56(80)49(33-72)70-53(77)46(65-35(3)73)30-37-16-20-39-10-4-6-12-41(39)27-37/h4-7,10-13,16-23,27-28,34,44-50,72,74H,8-9,14-15,24-26,29-33H2,1-3H3,(H2,60,75)(H,64,81)(H,65,73)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,77)(H4,61,62,63)/t44-,45-,46+,47-,48+,49-,50-/m0/s1
PubChem CID10328857
ChEMBLCHEMBL2370320
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19214Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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