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Ligand

NameCHEMBL262647
Molecular formulaC54H70N12O10
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
Molecular weight1047.23
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-2.0
SynonymsBDBM50407424
Inchi KeyNSDZFLXBNKXMCV-ZWQYVBCNSA-N
Inchi IDInChI=1S/C54H70N12O10/c1-30(2)47(66-52(73)45(25-33-29-60-40-18-8-5-15-36(33)40)63-49(70)41(19-9-11-21-55)61-48(69)37(57)26-46(67)68)53(74)65-44(24-32-28-59-39-17-7-4-14-35(32)39)51(72)64-43(23-31-27-58-38-16-6-3-13-34(31)38)50(71)62-42(54(75)76)20-10-12-22-56/h3-8,13-18,27-30,37,41-45,47,58-60H,9-12,19-26,55-57H2,1-2H3,(H,61,69)(H,62,71)(H,63,70)(H,64,72)(H,65,74)(H,66,73)(H,67,68)(H,75,76)/t37-,41-,42-,43+,44+,45+,47-/m0/s1
PubChem CID44324699
ChEMBLCHEMBL262647
IUPHARN/A
BindingDB50407424
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
230677Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
230678Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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