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Ligand

NameFGGFTCARKCARK
Molecular formulaC62H102N22O14S2
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight1443.76
Hydrogen bond acceptor21
Hydrogen bond donor23
XlogP-5.7
SynonymsCHEMBL442113
BDBM50106470
D09XZM
Inchi KeyAPYUYQWYKXKSOW-JOEKKRFNSA-N
Inchi IDInChI=1S/C62H102N22O14S2/c1-34(51(89)79-42(22-14-26-71-61(67)68)54(92)78-40(50(66)88)20-10-12-24-63)75-58(96)45(32-99)82-56(94)41(21-11-13-25-64)81-55(93)43(23-15-27-72-62(69)70)80-52(90)35(2)76-59(97)46(33-100)83-60(98)49(36(3)85)84-57(95)44(29-38-18-8-5-9-19-38)77-48(87)31-73-47(86)30-74-53(91)39(65)28-37-16-6-4-7-17-37/h4-9,16-19,34-36,39-46,49,85,99-100H,10-15,20-33,63-65H2,1-3H3,(H2,66,88)(H,73,86)(H,74,91)(H,75,96)(H,76,97)(H,77,87)(H,78,92)(H,79,89)(H,80,90)(H,81,93)(H,82,94)(H,83,98)(H,84,95)(H4,67,68,71)(H4,69,70,72)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
PubChem CID10986104
ChEMBLCHEMBL442113
IUPHARN/A
BindingDB50106470
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
11464Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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