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Ligand

NameCHEMBL3971054
Molecular formulaC48H69ClN16O10
IUPAC name(2R,5S,8R,11R,14R,22R)-22-[[(2R)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-[(3-chlorophenyl)methyl]-8-[3-(diaminomethylideneamino)propyl]-2-[(1S)-1-hydroxyethyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,19,23-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-14-carboxamide
Molecular weight1065.63
Hydrogen bond acceptor12
Hydrogen bond donor15
XlogP-1.8
SynonymsN/A
Inchi KeyAWKJUBFDTQDCHX-PANKWCGZSA-N
Inchi IDInChI=1S/C48H69ClN16O10/c1-25(66)39-46(75)64-36(22-27-9-5-10-29(49)21-27)44(73)61-34(15-8-20-57-48(53)54)42(71)63-37(23-28-24-58-31-12-4-3-11-30(28)31)45(74)60-32(40(50)69)13-6-18-55-38(68)17-16-35(43(72)65-39)62-41(70)33(59-26(2)67)14-7-19-56-47(51)52/h3-5,9-12,21,24-25,32-37,39,58,66H,6-8,13-20,22-23H2,1-2H3,(H2,50,69)(H,55,68)(H,59,67)(H,60,74)(H,61,73)(H,62,70)(H,63,71)(H,64,75)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t25-,32+,33+,34+,35+,36-,37+,39+/m0/s1
PubChem CID134153890
ChEMBLCHEMBL3971054
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548061Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
548060Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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