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Ligand

NameCHEMBL3929099
Molecular formulaC55H75ClN16O10
IUPAC name(2R,5S,8R,11R,14R,22R)-22-[[(2R)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-[(2-chlorophenyl)methyl]-8-[3-(diaminomethylideneamino)propyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,19,23-hexaoxo-2-[(1S)-1-phenylmethoxyethyl]-1,4,7,10,13,18-hexazacyclotricosane-14-carboxamide
Molecular weight1155.76
Hydrogen bond acceptor12
Hydrogen bond donor14
XlogP-0.3
SynonymsN/A
Inchi KeyBPRBXYIGPSSVII-NFCQZWOBSA-N
Inchi IDInChI=1S/C55H75ClN16O10/c1-31(82-30-33-13-4-3-5-14-33)46-53(81)71-43(27-34-15-6-8-17-37(34)56)52(80)68-41(21-12-26-64-55(60)61)49(77)70-44(28-35-29-65-38-18-9-7-16-36(35)38)51(79)67-39(47(57)75)19-10-24-62-45(74)23-22-42(50(78)72-46)69-48(76)40(66-32(2)73)20-11-25-63-54(58)59/h3-9,13-18,29,31,39-44,46,65H,10-12,19-28,30H2,1-2H3,(H2,57,75)(H,62,74)(H,66,73)(H,67,79)(H,68,80)(H,69,76)(H,70,77)(H,71,81)(H,72,78)(H4,58,59,63)(H4,60,61,64)/t31-,39+,40+,41+,42+,43-,44+,46+/m0/s1
PubChem CID134141551
ChEMBLCHEMBL3929099
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
548213Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
548212Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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