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Ligand

NameCHEMBL405151
Molecular formulaC55H91N17O13
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight1198.44
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP-4.4
SynonymsBDBM50281791
Ac-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH
Inchi KeyNOPXCIKOHHFMKH-DEXSEQFCSA-N
Inchi IDInChI=1S/C55H91N17O13/c1-6-31(4)44(50(81)69-40(53(84)85)27-30(2)3)70-47(78)38(28-33-18-20-34(74)21-19-33)68-49(80)42-17-12-26-72(42)52(83)37(15-10-24-63-55(60)61)66-45(76)35(14-9-23-62-54(58)59)65-48(79)41-16-11-25-71(41)51(82)36(13-7-8-22-56)67-46(77)39(29-43(57)75)64-32(5)73/h18-21,30-31,35-42,44,74H,6-17,22-29,56H2,1-5H3,(H2,57,75)(H,64,73)(H,65,79)(H,66,76)(H,67,77)(H,68,80)(H,69,81)(H,70,78)(H,84,85)(H4,58,59,62)(H4,60,61,63)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1
PubChem CID44385062
ChEMBLCHEMBL405151
IUPHARN/A
BindingDB50281791
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
228498Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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