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Ligand

NameCHEMBL411176
Molecular formulaC50H70N10O10S2
IUPAC namemethyl (2R)-2-[[(2S)-2-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylsulfanyl]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
Molecular weight1035.29
Hydrogen bond acceptor13
Hydrogen bond donor9
XlogP3.6
SynonymsN/A
Inchi KeyBLIFGMKEECDCML-JNBYTXRKSA-N
Inchi IDInChI=1S/C50H70N10O10S2/c1-32(2)27-41(47(66)57-37(22-25-71-4)48(67)69-3)72-26-24-54-43(62)38(28-33-15-8-5-9-16-33)58-45(64)39(29-34-17-10-6-11-18-34)59-44(63)36(21-14-23-55-49(52)53)56-46(65)40(30-42(51)61)60-50(68)70-31-35-19-12-7-13-20-35/h5-13,15-20,32,36-41H,14,21-31H2,1-4H3,(H2,51,61)(H,54,62)(H,56,65)(H,57,66)(H,58,64)(H,59,63)(H,60,68)(H4,52,53,55)/t36-,37+,38-,39+,40-,41-/m0/s1
PubChem CID44271443
ChEMBLCHEMBL411176
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26678Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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