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Name | Pituitary adenylate cyclase-activating polypeptide type I receptor |
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Species | Homo sapiens (Human) |
Gene | ADCYAP1R1 |
Synonym | PACAPR1 pituitary adenylate cyclase activating polypeptide 1 receptor (1) PACAP1-R PACAP-R1 PACAP-R-1 [ Show all ] |
Disease | N/A |
Length | 468 |
Amino acid sequence | MAGVVHVSLAALLLLPMAPAMHSDCIFKKEQAMCLEKIQRANELMGFNDSSPGCPGMWDNITCWKPAHVGEMVLVSCPELFRIFNPDQVWETETIGESDFGDSNSLDLSDMGVVSRNCTEDGWSEPFPHYFDACGFDEYESETGDQDYYYLSVKALYTVGYSTSLVTLTTAMVILCRFRKLHCTRNFIHMNLFVSFMLRAISVFIKDWILYAEQDSNHCFISTVECKAVMVFFHYCVVSNYFWLFIEGLYLFTLLVETFFPERRYFYWYTIIGWGTPTVCVTVWATLRLYFDDTGCWDMNDSTALWWVIKGPVVGSIMVNFVLFIGIIVILVQKLQSPDMGGNESSIYLRLARSTLLLIPLFGIHYTVFAFSPENVSKRERLVFELGLGSFQGFVVAVLYCFLNGEVQAEIKRKWRSWKVNRYFAVDFKHRHPSLASSGVNGGTQLSILSKSSSQIRMSGLPADNLAT |
UniProt | P41586 |
Protein Data Bank | 3n94 |
GPCR-HGmod model | P41586 |
3D structure model | This structure is from PDB ID 3n94. |
BioLiP | BL0183307 |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL5399 |
IUPHAR | 370 |
DrugBank | N/A |
Name | Ac-PACAP27 |
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Molecular formula | C144H226N40O40S |
IUPAC name | (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-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)-1-[[(2S)-1-[[(2S)-1-[[(2S)-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-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-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]-4-oxobutanoic acid |
Molecular weight | 3189.69 |
Hydrogen bond acceptor | 47 |
Hydrogen bond donor | 46 |
XlogP | -10.8 |
Synonyms | BDBM50250058 |
Inchi Key | NQLJVBGXTTWURK-OXBCEKERSA-N |
Inchi ID | InChI=1S/C144H226N40O40S/c1-17-76(10)115(181-110(194)67-157-121(203)104(64-111(195)196)175-138(220)108(70-187)179-133(215)103(162-81(15)189)63-86-66-154-71-158-86)141(223)176-102(59-82-29-19-18-20-30-82)135(217)184-116(80(14)188)142(224)177-105(65-112(197)198)134(216)180-107(69-186)137(219)174-101(62-85-40-46-89(192)47-41-85)132(214)178-106(68-185)136(218)166-94(35-28-55-156-144(152)153)127(209)172-99(60-83-36-42-87(190)43-37-83)130(212)165-93(34-27-54-155-143(150)151)125(207)163-90(31-21-24-51-145)123(205)167-95(48-49-109(148)193)128(210)168-96(50-56-225-16)122(204)160-79(13)120(202)182-113(74(6)7)139(221)169-92(33-23-26-53-147)124(206)164-91(32-22-25-52-146)126(208)173-100(61-84-38-44-88(191)45-39-84)131(213)171-98(58-73(4)5)129(211)161-77(11)118(200)159-78(12)119(201)183-114(75(8)9)140(222)170-97(117(149)199)57-72(2)3/h18-20,29-30,36-47,66,71-80,90-108,113-116,185-188,190-192H,17,21-28,31-35,48-65,67-70,145-147H2,1-16H3,(H2,148,193)(H2,149,199)(H,154,158)(H,157,203)(H,159,200)(H,160,204)(H,161,211)(H,162,189)(H,163,207)(H,164,206)(H,165,212)(H,166,218)(H,167,205)(H,168,210)(H,169,221)(H,170,222)(H,171,213)(H,172,209)(H,173,208)(H,174,219)(H,175,220)(H,176,223)(H,177,224)(H,178,214)(H,179,215)(H,180,216)(H,181,194)(H,182,202)(H,183,201)(H,184,217)(H,195,196)(H,197,198)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,113-,114-,115-,116-/m0/s1 |
PubChem CID | 91935842 |
ChEMBL | CHEMBL505046 |
IUPHAR | N/A |
BindingDB | 50250058 |
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. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 9.7 nM | PMID19413310 | BindingDB,ChEMBL |
Emax | 96.3 % | PMID19413310 | ChEMBL |
IC50 | 8.2 nM | PMID19413310 | BindingDB,ChEMBL |
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