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Ligand

NameVIP Ala23
Molecular formulaC144H232N44O42S
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular weight3283.77
Hydrogen bond acceptor50
Hydrogen bond donor49
XlogP-16.3
SynonymsBDBM85868
Inchi KeyVYYYOXDSEWGRPI-GKDYZWDQSA-N
Inchi IDInChI=1S/C144H232N44O42S/c1-17-72(10)112(140(228)179-94(54-69(4)5)130(218)172-92(115(153)203)59-105(150)196)186-137(225)103(66-190)183-132(220)98(60-106(151)197)173-116(204)73(11)163-127(215)95(56-79-36-40-82(193)41-37-79)175-124(212)86(32-22-25-48-146)166-122(210)87(33-23-26-49-147)170-138(226)110(70(6)7)184-117(205)74(12)162-120(208)91(46-52-231-16)169-126(214)90(44-45-104(149)195)168-121(209)85(31-21-24-47-145)165-123(211)88(34-27-50-159-143(154)155)167-129(217)93(53-68(2)3)174-125(213)89(35-28-51-160-144(156)157)171-141(229)113(76(14)191)187-134(222)96(57-80-38-42-83(194)43-39-80)176-131(219)99(61-107(152)198)177-133(221)101(63-109(201)202)181-142(230)114(77(15)192)188-135(223)97(55-78-29-19-18-20-30-78)180-139(227)111(71(8)9)185-118(206)75(13)164-128(216)100(62-108(199)200)178-136(224)102(65-189)182-119(207)84(148)58-81-64-158-67-161-81/h18-20,29-30,36-43,64,67-77,84-103,110-114,189-194H,17,21-28,31-35,44-63,65-66,145-148H2,1-16H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,198)(H2,153,203)(H,158,161)(H,162,208)(H,163,215)(H,164,216)(H,165,211)(H,166,210)(H,167,217)(H,168,209)(H,169,214)(H,170,226)(H,171,229)(H,172,218)(H,173,204)(H,174,213)(H,175,212)(H,176,219)(H,177,221)(H,178,224)(H,179,228)(H,180,227)(H,181,230)(H,182,207)(H,183,220)(H,184,205)(H,185,206)(H,186,225)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H4,154,155,159)(H4,156,157,160)/t72-,73-,74-,75-,76+,77+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,110-,111-,112-,113?,114-/m0/s1
PubChem CID91899011
ChEMBLN/A
IUPHARN/A
BindingDB85868
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
367658Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438
367659Vasoactive intestinal polypeptide receptor 2P35000Vipr2Rattus norvegicus (Rat)437

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