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Ligand

NameCHEMBL267924
Molecular formulaC52H71N13O7
IUPAC name(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanamide
Molecular weight990.224
Hydrogen bond acceptor9
Hydrogen bond donor12
XlogP3.7
SynonymsN/A
Inchi KeyICLDKABGHRPFQO-RRILHOLESA-N
Inchi IDInChI=1S/C52H71N13O7/c1-5-6-20-40(45(54)66)61-48(69)41(24-30(2)3)63-51(72)44(27-34-29-59-39-22-13-11-18-36(34)39)65-49(70)42(25-32-15-8-7-9-16-32)64-50(71)43(26-33-28-58-38-21-12-10-17-35(33)38)62-46(67)31(4)60-47(68)37(53)19-14-23-57-52(55)56/h7-13,15-18,21-22,28-31,37,40-44,58-59H,5-6,14,19-20,23-27,53H2,1-4H3,(H2,54,66)(H,60,68)(H,61,69)(H,62,67)(H,63,72)(H,64,71)(H,65,70)(H4,55,56,57)/t31-,37-,40-,41-,42-,43+,44+/m0/s1
PubChem CID14991647
ChEMBLCHEMBL267924
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
129888Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
129887Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
129889Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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