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Ligand

NameCHEMBL32248
Molecular formulaC28H28N4O4
IUPAC namebenzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight484.556
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.5
SynonymsBDBM50283777
N-[(Benzyloxy)carbonyl]-L-tryptophyl-L-phenylalaninamide
[1-(1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester
20695-94-7
DTXSID80658144
[ Show all ]
Inchi KeyMOFIHHRIGQKWJP-DQEYMECFSA-N
Inchi IDInChI=1S/C28H28N4O4/c29-26(33)24(15-19-9-3-1-4-10-19)31-27(34)25(16-21-17-30-23-14-8-7-13-22(21)23)32-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,30H,15-16,18H2,(H2,29,33)(H,31,34)(H,32,35)/t24-,25-/m0/s1
PubChem CID44281769
ChEMBLCHEMBL32248
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
210344Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
210345Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
210346Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
210343Substance-P receptorP25103TACR1Homo sapiens (Human)407

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