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Ligand

NameCHEMBL2371416
Molecular formulaC55H75N17O13
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight1182.31
Hydrogen bond acceptor15
Hydrogen bond donor16
XlogP-2.4
SynonymsN/A
Inchi KeyKUKVZHQFXGNIEF-AQJXLSMYSA-N
Inchi IDInChI=1S/C55H75N17O13/c1-29(2)19-41(54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)70-48(79)36(9-5-17-60-55(57)58)66-46(77)26-63-47(78)38(20-30-11-13-33(74)14-12-30)67-52(83)42(27-73)71-50(81)39(21-31-23-61-35-8-4-3-7-34(31)35)68-51(82)40(22-32-24-59-28-64-32)69-49(80)37-15-16-45(76)65-37/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,83)(H,68,82)(H,69,80)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
PubChem CID73348583
ChEMBLCHEMBL2371416
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
178511Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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