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Name | Endothelin-1 receptor |
---|---|
Species | Sus scrofa (Pig) |
Gene | EDNRA |
Synonym | Endothelin receptor type A {ECO:0000250|UniProtKB:P25101} ET-A ET-AR |
Disease | N/A for non-human GPCRs |
Length | 427 |
Amino acid sequence | METFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN |
UniProt | Q29010 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4130 |
IUPHAR | N/A |
DrugBank | N/A |
Name | BDBM50043322 |
---|---|
Molecular formula | C109H159N25O32S5 |
IUPAC name | (3S)-3-[[(2S)-2-[[(2S)-2-[[(1S,4S,7R,10S,13R,16S,19R,22S,25S,28S,31S,36R,39S,42R,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(2-methylpropyl)-13-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid |
Molecular weight | 2491.91 |
Hydrogen bond acceptor | 40 |
Hydrogen bond donor | 32 |
XlogP | -3.7 |
Synonyms | c(Cys-Ser-c(Cys-Ser-Ser-Leu-Met-Asp-Lys-Gln-Cys)-Val-Tyr-Phe-Cys)-His-Leu-Asp-Leu-Ile-Trp |
Inchi Key | IWBJVHLORHQTIZ-XHAWGJKBSA-N |
Inchi ID | InChI=1S/C109H159N25O32S5/c1-12-57(10)88(108(164)126-77(109(165)166)39-60-43-113-65-23-17-16-22-63(60)65)134-100(156)71(36-55(6)7)119-99(155)76(42-86(143)144)124-94(150)70(35-54(4)5)118-97(153)74(40-61-44-112-52-114-61)122-104(160)81-49-169-168-48-64(111)89(145)127-78(45-135)103(159)132-82-50-170-171-51-83(106(162)133-87(56(8)9)107(163)125-73(38-59-25-27-62(138)28-26-59)95(151)121-72(96(152)131-81)37-58-20-14-13-15-21-58)130-91(147)67(29-30-84(139)140)116-90(146)66(24-18-19-32-110)115-98(154)75(41-85(141)142)123-92(148)68(31-33-167-11)117-93(149)69(34-53(2)3)120-101(157)79(46-136)128-102(158)80(47-137)129-105(82)161/h13-17,20-23,25-28,43-44,52-57,64,66-83,87-88,113,135-138H,12,18-19,24,29-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,155)(H,120,157)(H,121,151)(H,122,160)(H,123,148)(H,124,150)(H,125,163)(H,126,164)(H,127,145)(H,128,158)(H,129,161)(H,130,147)(H,131,152)(H,132,159)(H,133,162)(H,134,156)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t57-,64+,66+,67-,68+,69-,70-,71-,72-,73+,74-,75-,76-,77-,78-,79+,80-,81-,82+,83+,87-,88-/m0/s1 |
PubChem CID | 77068536 |
ChEMBL | CHEMBL427748 |
IUPHAR | N/A |
BindingDB | 50043322 |
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 |
---|---|---|---|
IC50 | 0.75 nM | PMID8258832 | BindingDB,ChEMBL |
Max vasoconstriction | 73.0 - | PMID8258832 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218