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Ligand

NameCHEMBL2369814
Molecular formulaC53H71N13O9
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1034.23
Hydrogen bond acceptor11
Hydrogen bond donor13
XlogP1.9
SynonymsBDBM50405781
Inchi KeyJHLSOUWURHSRJH-JCYOZFERSA-N
Inchi IDInChI=1S/C53H71N13O9/c1-4-57-51(74)45-16-10-22-66(45)52(75)40(15-9-21-58-53(55)56)61-47(70)41(23-30(2)3)62-49(72)43(26-33-28-60-39-14-8-6-12-36(33)39)64-48(71)42(24-31-17-19-34(68)20-18-31)63-50(73)44(29-67)65-46(69)37(54)25-32-27-59-38-13-7-5-11-35(32)38/h5-8,11-14,17-20,27-28,30,37,40-45,59-60,67-68H,4,9-10,15-16,21-26,29,54H2,1-3H3,(H,57,74)(H,61,70)(H,62,72)(H,63,73)(H,64,71)(H,65,69)(H4,55,56,58)/t37-,40-,41-,42-,43+,44-,45-/m0/s1
PubChem CID14557578
ChEMBLCHEMBL2369814
IUPHARN/A
BindingDB50405781
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
151129Follicle-stimulating hormone receptorP20395FshrRattus norvegicus (Rat)692
151130Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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