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Ligand

NameCHEMBL2369392
Molecular formulaC37H50N8O7
IUPAC name(2S)-2-[[(2S)-1-[(3S)-2-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight718.856
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP-1.7
SynonymsBDBM50407813
Inchi KeyCCVDOQFVESBYNR-FDFFVGMESA-N
Inchi IDInChI=1S/C37H50N8O7/c38-26(17-22-9-2-1-3-10-22)32(47)43-28(21-46)34(49)44-20-25-13-5-4-11-23(25)18-31(44)35(50)45-29-15-7-6-12-24(29)19-30(45)33(48)42-27(36(51)52)14-8-16-41-37(39)40/h1-5,9-11,13,24,26-31,46H,6-8,12,14-21,38H2,(H,42,48)(H,43,47)(H,51,52)(H4,39,40,41)/t24?,26-,27-,28-,29?,30-,31-/m0/s1
PubChem CID73354460
ChEMBLCHEMBL2369392
IUPHARN/A
BindingDB50407813
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
38986B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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