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Ligand

NameCHEMBL315841
Molecular formulaC49H63N7O10
IUPAC name(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3,3-diphenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight910.082
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP5.8
SynonymsBDBM50045264
Ac-3,3-Diphenyl-D-Ala-L-Leu-L-Asp-L-Val-L-Ile-L-Trp-OH
Ac-D-Dip-Leu-Asp-Val-Ile-Trp
Inchi KeyDRQGVADKIBRYTL-YSMMXTGPSA-N
Inchi IDInChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43+/m0/s1
PubChem CID10056613
ChEMBLCHEMBL315841
IUPHARN/A
BindingDB50045264
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
67189Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
67188Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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