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Name | Neuromedin-U receptor 2 |
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Species | Homo sapiens (Human) |
Gene | NMUR2 |
Synonym | G-protein coupled receptor FM-4 G-protein coupled receptor TGR-1 FM4 NMU-R2 NMU2 receptor [ Show all ] |
Disease | N/A |
Length | 415 |
Amino acid sequence | MSGMEKLQNASWIYQQKLEDPFQKHLNSTEEYLAFLCGPRRSHFFLPVSVVYVPIFVVGVIGNVLVCLVILQHQAMKTPTNYYLFSLAVSDLLVLLLGMPLEVYEMWRNYPFLFGPVGCYFKTALFETVCFASILSITTVSVERYVAILHPFRAKLQSTRRRALRILGIVWGFSVLFSLPNTSIHGIKFHYFPNGSLVPGSATCTVIKPMWIYNFIIQVTSFLFYLLPMTVISVLYYLMALRLKKDKSLEADEGNANIQRPCRKSVNKMLFVLVLVFAICWAPFHIDRLFFSFVEEWSESLAAVFNLVHVVSGVFFYLSSAVNPIIYNLLSRRFQAAFQNVISSFHKQWHSQHDPQLPPAQRNIFLTECHFVELTEDIGPQFPCQSSMHNSHLPAALSSEQMSRTNYQSFHFNKT |
UniProt | Q9GZQ4 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q9GZQ4 |
3D structure model | This predicted structure model is from GPCR-EXP Q9GZQ4. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1075144 |
IUPHAR | 299 |
DrugBank | N/A |
Name | CHEMBL3425593 |
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Molecular formula | C47H62FN15O8S |
IUPAC name | (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-thiophen-2-ylacetyl)amino]propanoyl]amino]propanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide |
Molecular weight | 1016.17 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | -1.3 |
Synonyms | 2-Thienylacetyl-Trp-4-fluoro-Phe-Arg-Pro-Arg-Asn-NH2 BDBM50085928 compound 5d [PMID: 25815150] (2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[2-(thiophen-2-yl)acetamido]propanamido]propanamido]pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]butanediamide GTPL9008 |
Inchi Key | TZCCKCLHNUSAMQ-DUGSHLAESA-N |
Inchi ID | InChI=1S/C47H62FN15O8S/c48-28-15-13-26(14-16-28)21-35(62-43(69)36(58-39(65)23-29-7-6-20-72-29)22-27-25-57-31-9-2-1-8-30(27)31)42(68)60-33(11-4-18-56-47(53)54)45(71)63-19-5-12-37(63)44(70)59-32(10-3-17-55-46(51)52)41(67)61-34(40(50)66)24-38(49)64/h1-2,6-9,13-16,20,25,32-37,57H,3-5,10-12,17-19,21-24H2,(H2,49,64)(H2,50,66)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H4,51,52,55)(H4,53,54,56)/t32-,33-,34-,35-,36-,37-/m0/s1 |
PubChem CID | 117072558 |
ChEMBL | CHEMBL3425593 |
IUPHAR | 9008 |
BindingDB | 50085928 |
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 | 2.6 nM | PMID25815150 | BindingDB,ChEMBL |
Intrinsic activity | 82.0 % | PMID25815150 | ChEMBL |
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