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Ligand

NameCHEMBL1793837
Molecular formulaC41H64N12O7
IUPAC name(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentyl]amino]-3-phenylpropanoic acid
Molecular weight837.04
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-2.0
SynonymsBDBM50369072
Inchi KeyQXGQKFWHFUGJDS-CPMVAYJASA-N
Inchi IDInChI=1S/C41H64N12O7/c1-3-25(2)33(24-49-32(39(59)60)23-26-10-5-4-6-11-26)52-36(56)31(22-27-15-17-28(54)18-16-27)51-37(57)34-14-9-21-53(34)38(58)30(13-8-20-48-41(45)46)50-35(55)29(42)12-7-19-47-40(43)44/h4-6,10-11,15-18,25,29-34,49,54H,3,7-9,12-14,19-24,42H2,1-2H3,(H,50,55)(H,51,57)(H,52,56)(H,59,60)(H4,43,44,47)(H4,45,46,48)/t25-,29+,30+,31+,32+,33+,34+/m1/s1
PubChem CID56675175
ChEMBLCHEMBL1793837
IUPHARN/A
BindingDB50369072
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
289133Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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