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Name | pituitary adenylate cyclase activating polypeptide-27 |
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Molecular formula | C142H224N40O39S |
IUPAC name | 4-[[2-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[5-amino-1-[[1-[[1-[[1-[[6-amino-1-[[6-amino-1-[[1-[[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-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-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-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-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid |
Molecular weight | 3147.66 |
Hydrogen bond acceptor | 47 |
Hydrogen bond donor | 48 |
XlogP | -10.3 |
Synonyms | GTPL2257 Pituitary adenylate cyclase activating polypeptide-27 ovine, >=97% (HPLC), solid H-HIS-SER-ASP-GLY-ILE-PHE-THR-ASP-SER-TYR-SER-ARG-TYR-ARG-LYS-GLN-MET-ALA-VAL-LYS-LYS-TYR-LEU-ALA-ALA-VAL-LEU-NH2 D0MC5J |
Inchi Key | RZGBUJXSKLDAFE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155) |
PubChem CID | 16133238 |
ChEMBL | N/A |
IUPHAR | 2257 |
BindingDB | N/A |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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554790 | Pituitary adenylate cyclase-activating polypeptide type I receptor | P32215 | Adcyap1r1 | Rattus norvegicus (Rat) | 523 |
554792 | Pituitary adenylate cyclase-activating polypeptide type I receptor | P41586 | ADCYAP1R1 | Homo sapiens (Human) | 468 |
554791 | Vasoactive intestinal polypeptide receptor 1 | P32241 | VIPR1 | Homo sapiens (Human) | 457 |
554795 | Vasoactive intestinal polypeptide receptor 1 | P30083 | Vipr1 | Rattus norvegicus (Rat) | 459 |
554793 | Vasoactive intestinal polypeptide receptor 2 | P41587 | VIPR2 | Homo sapiens (Human) | 438 |
554794 | Vasoactive intestinal polypeptide receptor 2 | P35000 | Vipr2 | Rattus norvegicus (Rat) | 437 |
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