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Ligand

NameSubstance P
Molecular formulaC63H98N18O13S
IUPAC name(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Molecular weight1347.65
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP-2.3
Synonyms11035-08-8
AC1Q5IQE
ArgProLysProGlnGlnPhePheGlyLeuMet
GTPL2098
Neurokinin P
[ Show all ]
Inchi KeyADNPLDHMAVUMIW-CUZNLEPHSA-N
Inchi IDInChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PubChem CID36511
ChEMBLCHEMBL235363
IUPHAR2098
BindingDB50001450
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521522Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330
2490Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
2496Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
2498Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
553258Neuromedin-K receptorP47937Tacr3Mus musculus (Mouse)452
2489Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
2491Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
2494Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
2495Substance-K receptorP21452TACR2Homo sapiens (Human)398
2487Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
2488Substance-P receptorP25103TACR1Homo sapiens (Human)407
2492Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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