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Ligand

NameCHEMBL2370056
Molecular formulaC51H65N9O9
IUPAC namebenzyl (4R)-4-amino-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-[(2S)-2-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
Molecular weight948.135
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP3.8
SynonymsN/A
Inchi KeyHQXYCDLLHZQMSJ-OVNTZRKFSA-N
Inchi IDInChI=1S/C51H65N9O9/c1-3-4-20-39(45(53)62)56-49(66)42-22-13-26-59(42)51(68)43-23-14-27-60(43)50(67)41(28-33-15-7-5-8-16-33)58-48(65)40(29-35-30-54-38-21-12-11-19-36(35)38)57-46(63)32(2)55-47(64)37(52)24-25-44(61)69-31-34-17-9-6-10-18-34/h5-12,15-19,21,30,32,37,39-43,54H,3-4,13-14,20,22-29,31,52H2,1-2H3,(H2,53,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)/t32-,37+,39-,40+,41-,42-,43+/m0/s1
PubChem CID14991668
ChEMBLCHEMBL2370056
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
121833Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
121834Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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