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Ligand

NameCHEMBL385914
Molecular formulaC55H63N11O11
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
Molecular weight1054.18
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-1.5
SynonymsBDBM50407408
Inchi KeyMULBSGRUZZRZRP-CNPLJXGKSA-N
Inchi IDInChI=1S/C55H63N11O11/c1-30(61-51(72)45(23-32-27-58-40-13-5-2-10-36(32)40)65-52(73)44(22-31-17-19-35(67)20-18-31)64-50(71)39(57)26-48(68)69)49(70)63-46(24-33-28-59-41-14-6-3-11-37(33)41)54(75)66-47(25-34-29-60-42-15-7-4-12-38(34)42)53(74)62-43(55(76)77)16-8-9-21-56/h2-7,10-15,17-20,27-30,39,43-47,58-60,67H,8-9,16,21-26,56-57H2,1H3,(H,61,72)(H,62,74)(H,63,70)(H,64,71)(H,65,73)(H,66,75)(H,68,69)(H,76,77)/t30-,39-,43-,44-,45+,46+,47+/m0/s1
PubChem CID44324700
ChEMBLCHEMBL385914
IUPHARN/A
BindingDB50407408
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
214443Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
214444Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
214445Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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