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Ligand

NameCHEMBL2371556
Molecular formulaC68H91ClN16O15
IUPAC name(2R,5S,16S)-16-acetamido-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[(4-chlorophenyl)methyl]-3,7,11,17-tetraoxo-1,4,8,12-tetrazacycloheptadecane-5-carboxamide
Molecular weight1408.02
Hydrogen bond acceptor16
Hydrogen bond donor16
XlogP0.5
SynonymsN/A
Inchi KeyAGAQSCJMBZTXIC-UVABREJPSA-N
Inchi IDInChI=1S/C68H91ClN16O15/c1-37(2)30-49(60(93)78-48(13-8-27-75-68(71)72)67(100)85-29-9-14-55(85)66(99)76-38(3)58(70)91)79-63(96)52(34-42-15-20-43-10-5-6-11-44(43)31-42)81-61(94)51(33-41-18-23-46(88)24-19-41)82-65(98)54(36-86)84-64(97)53-35-57(90)74-28-25-56(89)73-26-7-12-47(77-39(4)87)59(92)80-50(62(95)83-53)32-40-16-21-45(69)22-17-40/h5-6,10-11,15-24,31,37-38,47-55,86,88H,7-9,12-14,25-30,32-36H2,1-4H3,(H2,70,91)(H,73,89)(H,74,90)(H,76,99)(H,77,87)(H,78,93)(H,79,96)(H,80,92)(H,81,94)(H,82,98)(H,83,95)(H,84,97)(H4,71,72,75)/t38-,47+,48+,49-,50-,51+,52-,53+,54+,55+/m1/s1
PubChem CID73345577
ChEMBLCHEMBL2371556
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
4698Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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