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Ligand

NameCHEMBL367873
Molecular formulaC32H54N12O6
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1-[[(2S,3R)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight702.862
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP-2.3
SynonymsBDBM50281792
(S)-1-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carboxylic acid [1-((S)-1-carbamoyl-2-methyl-butylcarbamoyl)-2-(4-hydroxy-phenyl)-ethyl]-amide
Inchi KeyOASDKNFAGRRSIT-LZFDFFMTSA-N
Inchi IDInChI=1S/C32H54N12O6/c1-3-18(2)25(26(34)46)43-28(48)23(17-19-10-12-20(45)13-11-19)42-29(49)24-9-6-16-44(24)30(50)22(8-5-15-40-32(37)38)41-27(47)21(33)7-4-14-39-31(35)36/h10-13,18,21-25,45H,3-9,14-17,33H2,1-2H3,(H2,34,46)(H,41,47)(H,42,49)(H,43,48)(H4,35,36,39)(H4,37,38,40)/t18-,21+,22+,23+,24+,25+/m1/s1
PubChem CID44384694
ChEMBLCHEMBL367873
IUPHARN/A
BindingDB50281792
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
236622Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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