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Ligand

NameCHEMBL262224
Molecular formulaC62H102N22O15
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-methylphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
Molecular weight1395.64
Hydrogen bond acceptor20
Hydrogen bond donor22
XlogP-6.6
SynonymsPhe-Gly-Gly-4-Methyl-Phe-Thr-Gly-Ala-Arg-Lys-Ser-Ala-Arg-Lys-NH2
Inchi KeyBZFFECVAGXDJDZ-YILJZHMHSA-N
Inchi IDInChI=1S/C62H102N22O15/c1-34-20-22-39(23-21-34)29-45(78-49(89)31-73-47(87)30-74-54(93)40(65)28-38-14-6-5-7-15-38)58(97)84-50(37(4)86)60(99)75-32-48(88)76-35(2)52(91)80-44(19-13-27-72-62(69)70)56(95)82-42(17-9-11-25-64)57(96)83-46(33-85)59(98)77-36(3)53(92)81-43(18-12-26-71-61(67)68)55(94)79-41(51(66)90)16-8-10-24-63/h5-7,14-15,20-23,35-37,40-46,50,85-86H,8-13,16-19,24-33,63-65H2,1-4H3,(H2,66,90)(H,73,87)(H,74,93)(H,75,99)(H,76,88)(H,77,98)(H,78,89)(H,79,94)(H,80,91)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H4,67,68,71)(H4,69,70,72)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1
PubChem CID11967729
ChEMBLCHEMBL262224
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
36383Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367
36384Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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