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Ligand

NameCHEMBL2370055
Molecular formulaC49H68N10O10
IUPAC nametert-butyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2R)-2-[(2S)-2-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
Molecular weight957.143
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP2.9
SynonymsN/A
Inchi KeyNRQHTTPTGMAJGT-SLROIMSRSA-N
Inchi IDInChI=1S/C49H68N10O10/c1-6-7-18-34(41(51)61)54-45(65)38-20-13-24-58(38)47(67)39-21-14-25-59(39)46(66)37(26-30-15-9-8-10-16-30)56-44(64)36(27-31-28-52-33-19-12-11-17-32(31)33)55-42(62)29(2)53-43(63)35(22-23-40(50)60)57-48(68)69-49(3,4)5/h8-12,15-17,19,28-29,34-39,52H,6-7,13-14,18,20-27H2,1-5H3,(H2,50,60)(H2,51,61)(H,53,63)(H,54,65)(H,55,62)(H,56,64)(H,57,68)/t29-,34-,35-,36+,37-,38-,39+/m0/s1
PubChem CID14991670
ChEMBLCHEMBL2370055
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
230352Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
230350Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
230351Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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