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Ligand

NameCHEMBL2373073
Molecular formulaC64H76N14O14S2
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]pentanediamide
Molecular weight1329.52
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP3.4
SynonymsN/A
Inchi KeyBVGMKIXJDPCNQI-GPEMHLATSA-N
Inchi IDInChI=1S/C64H76N14O14S2/c1-31(2)21-47(59(87)74-45(55(66)83)19-20-94-6)75-60(88)49(24-36-28-67-30-70-36)73-53(82)29-69-61(89)54(32(3)4)78-56(84)33(5)71-58(86)48(22-34-27-68-44-10-8-7-9-39(34)44)76-57(85)46(17-18-52(65)81)77-63(93)72-35-11-14-41-40(23-35)62(90)92-64(41)42-15-12-37(79)25-50(42)91-51-26-38(80)13-16-43(51)64/h7-16,23,25-28,30-33,45-49,54,68,79-80H,17-22,24,29H2,1-6H3,(H2,65,81)(H2,66,83)(H,67,70)(H,69,89)(H,71,86)(H,73,82)(H,74,87)(H,75,88)(H,76,85)(H,78,84)(H2,72,77,93)/t33-,45+,46-,47-,48-,49-,54-/m0/s1
PubChem CID73354830
ChEMBLCHEMBL2373073
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
33703Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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