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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 | CID 44139855 |
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Molecular formula | C142H222N40O39S |
IUPAC name | (3S)-4-[[2-[[(2S,3S)-1-[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-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]carbamoyl]-1,3-dihydroisoindol-2-yl]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid |
Molecular weight | 3145.64 |
Hydrogen bond acceptor | 47 |
Hydrogen bond donor | 47 |
XlogP | -10.9 |
Synonyms | N/A |
Inchi Key | LNXKASYHUULXMJ-FGHXNNKMSA-N |
Inchi ID | InChI=1S/C142H222N40O39S/c1-16-74(10)112(178-107(191)64-156-120(201)101(61-108(192)193)173-134(215)103(66-183)175-119(200)88(146)60-83-63-153-69-157-83)140(221)182-65-82-27-17-18-28-87(82)114(182)139(220)181-113(78(14)186)138(219)174-102(62-109(194)195)132(213)177-105(68-185)135(216)172-100(59-81-38-44-86(189)45-39-81)131(212)176-104(67-184)133(214)164-93(33-26-53-155-142(151)152)126(207)170-98(57-79-34-40-84(187)41-35-79)129(210)163-92(32-25-52-154-141(149)150)124(205)161-89(29-19-22-49-143)122(203)165-94(46-47-106(147)190)127(208)166-95(48-54-222-15)121(202)159-77(13)118(199)179-110(72(6)7)136(217)167-91(31-21-24-51-145)123(204)162-90(30-20-23-50-144)125(206)171-99(58-80-36-42-85(188)43-37-80)130(211)169-97(56-71(4)5)128(209)160-75(11)116(197)158-76(12)117(198)180-111(73(8)9)137(218)168-96(115(148)196)55-70(2)3/h17-18,27-28,34-45,63,69-78,88-105,110-114,183-189H,16,19-26,29-33,46-62,64-68,143-146H2,1-15H3,(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,164,214)(H,165,203)(H,166,208)(H,167,217)(H,168,218)(H,169,211)(H,170,207)(H,171,206)(H,172,216)(H,173,215)(H,174,219)(H,175,200)(H,176,212)(H,177,213)(H,178,191)(H,179,199)(H,180,198)(H,181,220)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)/t74-,75-,76-,77-,78+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,110-,111-,112-,113-,114?/m0/s1 |
PubChem CID | 44139855 |
ChEMBL | CHEMBL527079 |
IUPHAR | N/A |
BindingDB | 50250095 |
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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IC50 | 3590.0 nM | PMID19413310 | BindingDB,ChEMBL |
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