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Ligand

NameCHEMBL2369780
Molecular formulaC49H73N11O9
IUPAC name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight960.191
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP2.7
SynonymsBDBM50227964
Inchi KeyFKHIJWPTFDIPLW-BDPXDZDXSA-N
Inchi IDInChI=1S/C49H73N11O9/c1-6-52-47(68)41-16-11-23-60(41)48(69)36(15-10-22-53-49(50)51)56-43(64)37(24-29(2)3)57-44(65)38(25-30(4)5)58-45(66)39(26-31-18-20-33(62)21-19-31)59-46(67)40(28-61)55-42(63)17-9-12-32-27-54-35-14-8-7-13-34(32)35/h7-8,13-14,18-21,27,29-30,36-41,54,61-62H,6,9-12,15-17,22-26,28H2,1-5H3,(H,52,68)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H4,50,51,53)/t36-,37-,38+,39-,40-,41-/m0/s1
PubChem CID14557596
ChEMBLCHEMBL2369780
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
80453Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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