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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 | [N-Me-Thr7]PACAP38 |
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Molecular formula | C204H333N63O53S |
IUPAC name | (3S)-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-[[2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]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]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid |
Molecular weight | 4548.36 |
Hydrogen bond acceptor | 67 |
Hydrogen bond donor | 67 |
XlogP | -17.9 |
Synonyms | BDBM50250057 |
Inchi Key | FPVXAUDYKDRVNM-RTJRHOEESA-N |
Inchi ID | InChI=1S/C204H333N63O53S/c1-19-110(12)163(263-157(280)100-231-171(291)147(96-158(281)282)256-193(313)150(101-268)260-169(289)125(212)94-120-98-225-104-232-120)198(318)259-149(93-115-41-21-20-22-42-115)200(320)267(17)164(114(16)271)199(319)258-148(97-159(283)284)191(311)262-152(103-270)194(314)254-145(92-119-60-68-124(275)69-61-119)189(309)261-151(102-269)192(312)244-135(52-39-84-228-203(221)222)181(301)252-143(90-117-56-64-122(273)65-57-117)187(307)243-133(50-37-82-226-201(217)218)177(297)238-128(45-25-32-77-207)174(294)246-138(71-73-154(214)277)183(303)247-139(74-86-321-18)172(292)234-113(15)168(288)264-160(107(6)7)195(315)248-131(48-28-35-80-210)176(296)239-130(47-27-34-79-209)178(298)253-144(91-118-58-66-123(274)67-59-118)188(308)250-141(88-106(4)5)185(305)235-111(13)166(286)233-112(14)167(287)265-161(108(8)9)197(317)257-140(87-105(2)3)170(290)230-99-156(279)236-127(44-24-31-76-206)173(293)240-134(51-38-83-227-202(219)220)180(300)251-142(89-116-54-62-121(272)63-55-116)186(306)242-129(46-26-33-78-208)175(295)245-137(70-72-153(213)276)182(302)241-136(53-40-85-229-204(223)224)184(304)266-162(109(10)11)196(316)249-132(49-29-36-81-211)179(299)255-146(95-155(215)278)190(310)237-126(165(216)285)43-23-30-75-205/h20-22,41-42,54-69,98,104-114,125-152,160-164,268-275H,19,23-40,43-53,70-97,99-103,205-212H2,1-18H3,(H2,213,276)(H2,214,277)(H2,215,278)(H2,216,285)(H,225,232)(H,230,290)(H,231,291)(H,233,286)(H,234,292)(H,235,305)(H,236,279)(H,237,310)(H,238,297)(H,239,296)(H,240,293)(H,241,302)(H,242,306)(H,243,307)(H,244,312)(H,245,295)(H,246,294)(H,247,303)(H,248,315)(H,249,316)(H,250,308)(H,251,300)(H,252,301)(H,253,298)(H,254,314)(H,255,299)(H,256,313)(H,257,317)(H,258,319)(H,259,318)(H,260,289)(H,261,309)(H,262,311)(H,263,280)(H,264,288)(H,265,287)(H,266,304)(H,281,282)(H,283,284)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t110-,111-,112-,113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,160-,161-,162-,163-,164-/m0/s1 |
PubChem CID | 91935841 |
ChEMBL | CHEMBL501224 |
IUPHAR | N/A |
BindingDB | 50250057 |
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 |
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EC50 | 1010.0 nM | PMID19413310 | BindingDB,ChEMBL |
Emax | 40.0 % | PMID19413310 | ChEMBL |
IC50 | 1010.0 nM | PMID19413310 | BindingDB,ChEMBL |
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