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Ligand

NameCHEMBL2170701
Molecular formulaC50H68N10O6
IUPAC name(2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]hexanamide
Molecular weight905.158
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP4.7
SynonymsBDBM50396901
Inchi KeyAHWBBFQVXUUXQV-KBWIMFBDSA-N
Inchi IDInChI=1S/C50H68N10O6/c1-30(2)23-39(45(53)61)55-47(63)40(24-31(3)4)57-49(65)42(26-33-28-54-38-20-11-9-17-35(33)38)59-48(64)41(25-32-15-7-6-8-16-32)58-50(66)43(56-46(62)37(52)19-13-14-22-51)27-34-29-60(5)44-21-12-10-18-36(34)44/h6-12,15-18,20-21,28-31,37,39-43,54H,13-14,19,22-27,51-52H2,1-5H3,(H2,53,61)(H,55,63)(H,56,62)(H,57,65)(H,58,66)(H,59,64)/t37-,39-,40-,41-,42+,43+/m0/s1
PubChem CID71458849
ChEMBLCHEMBL2170701
IUPHARN/A
BindingDB50396901
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
5934Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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