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Ligand

NameCHEMBL2370696
Molecular formulaC66H82N16O14
IUPAC name(2S,5S,8S,11S,14S,17S,20S,26S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-11-(2-amino-2-oxoethyl)-5,8,17-tribenzyl-2-[3-(diaminomethylideneamino)propyl]-14-methyl-3,6,9,12,15,18,22,27-octaoxo-1,4,7,10,13,16,19,23-octazacycloheptacosane-20-carboxamide
Molecular weight1323.48
Hydrogen bond acceptor16
Hydrogen bond donor17
XlogP-0.5
SynonymsTyr-c[Dpr-Arg-Phe-Phe-Asn-Ala-Phe-Asp]-Tyr-NH2
BDBM50106533
CHEMBL440242
Inchi KeyDWCRGASLZHIIPH-QTDVOZQNSA-N
Inchi IDInChI=1S/C66H82N16O14/c1-37-57(88)78-49(32-38-12-5-2-6-13-38)62(93)82-53(65(96)77-48(56(69)87)31-42-21-25-44(84)26-22-42)36-55(86)72-29-27-47(75-58(89)45(67)30-41-19-23-43(83)24-20-41)60(91)76-46(18-11-28-73-66(70)71)59(90)79-50(33-39-14-7-3-8-15-39)63(94)80-51(34-40-16-9-4-10-17-40)64(95)81-52(35-54(68)85)61(92)74-37/h2-10,12-17,19-26,37,45-53,83-84H,11,18,27-36,67H2,1H3,(H2,68,85)(H2,69,87)(H,72,86)(H,74,92)(H,75,89)(H,76,91)(H,77,96)(H,78,88)(H,79,90)(H,80,94)(H,81,95)(H,82,93)(H4,70,71,73)/t37-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PubChem CID73353068
ChEMBLCHEMBL2370696
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
70474Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
70475Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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