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Ligand

NameCHEMBL3272539
Molecular formulaC65H89N13O16S
IUPAC nameacetic acid;(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(methanesulfonamido)-3-phenylmethoxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1340.56
Hydrogen bond acceptor18
Hydrogen bond donor14
XlogPNone
SynonymsN/A
Inchi KeyAWTZZGDBIABBTM-YNBNWFLQSA-N
Inchi IDInChI=1S/C63H85N13O14S.C2H4O2/c1-6-66-61(85)54-19-13-29-76(54)62(86)47(18-12-28-67-63(64)65)69-55(79)48(30-38(2)3)70-56(80)49(32-40-22-26-44(89-4)27-23-40)71-57(81)50(31-39-20-24-43(78)25-21-39)72-59(83)52(35-77)74-58(82)51(33-42-34-68-46-17-11-10-16-45(42)46)73-60(84)53(75-91(5,87)88)37-90-36-41-14-8-7-9-15-41;1-2(3)4/h7-11,14-17,20-27,34,38,47-54,68,75,77-78H,6,12-13,18-19,28-33,35-37H2,1-5H3,(H,66,85)(H,69,79)(H,70,80)(H,71,81)(H,72,83)(H,73,84)(H,74,82)(H4,64,65,67);1H3,(H,3,4)/t47-,48-,49+,50-,51-,52-,53-,54-;/m0./s1
PubChem CID90677601
ChEMBLCHEMBL3272539
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16363Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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