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Ligand

NameCHEMBL1790460
Molecular formulaC39H56N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-benzamidohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight736.911
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP1.8
SynonymsBDBM50366303
Inchi KeyNTVLRTRSORSWIK-SIIXGJQHSA-N
Inchi IDInChI=1S/C39H56N6O8/c1-5-25(4)33(37(50)43-31(39(52)53)22-24(2)3)44-35(48)30(23-26-16-18-28(46)19-17-26)42-36(49)32-15-11-21-45(32)38(51)29(14-9-10-20-40)41-34(47)27-12-7-6-8-13-27/h6-8,12-13,16-19,24-25,29-33,46H,5,9-11,14-15,20-23,40H2,1-4H3,(H,41,47)(H,42,49)(H,43,50)(H,44,48)(H,52,53)/t25-,29+,30+,31+,32+,33+/m1/s1
PubChem CID56672657
ChEMBLCHEMBL1790460
IUPHARN/A
BindingDB50366303
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
232006Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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