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Ligand

NameCHEMBL1790467
Molecular formulaC43H64N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[(4-tert-butylbenzoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight793.019
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP3.5
SynonymsBDBM50366299
Inchi KeyPCPBONSBFDNSIH-ISYIGULMSA-N
Inchi IDInChI=1S/C43H64N6O8/c1-8-27(4)36(40(54)47-34(42(56)57)24-26(2)3)48-38(52)33(25-28-14-20-31(50)21-15-28)46-39(53)35-13-11-23-49(35)41(55)32(12-9-10-22-44)45-37(51)29-16-18-30(19-17-29)43(5,6)7/h14-21,26-27,32-36,50H,8-13,22-25,44H2,1-7H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t27-,32+,33+,34+,35+,36+/m1/s1
PubChem CID56662311
ChEMBLCHEMBL1790467
IUPHARN/A
BindingDB50366299
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
256498Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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