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Name | Endothelin receptor type B |
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Species | Homo sapiens (Human) |
Gene | EDNRB |
Synonym | endothelin B receptor HSCR2 HSCR ETB receptor ET-BR [ Show all ] |
Disease | Arrhythmia Hypertension Pulmonary arterial hypertension Solid tumours Cancer [ Show all ] |
Length | 442 |
Amino acid sequence | MQPPPSLCGRALVALVLACGLSRIWGEERGFPPDRATPLLQTAEIMTPPTKTLWPKGSNASLARSLAPAEVPKGDRTAGSPPRTISPPPCQGPIEIKETFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIVIDIPINVYKLLAEDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDIITMDYKGSYLRICLLHPVQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYNQNDPNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS |
UniProt | P24530 |
Protein Data Bank | 6igl, 6igk, 5xpr, 5x93 |
GPCR-HGmod model | P24530 |
3D structure model | This structure is from PDB ID 6igl. |
BioLiP | BL0388813, BL0433639, BL0433638, BL0388896, BL0388814 |
Therapeutic Target Database | T92828 |
ChEMBL | CHEMBL1785 |
IUPHAR | 220 |
DrugBank | BE0000043 |
Name | CHEMBL129220 |
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Molecular formula | C30H40N2O7 |
IUPAC name | (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid |
Molecular weight | 540.657 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | CTK6E1836 4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(3,4-dimethoxy-phenyl)-pyrrolidine-3-carboxylic acid (2r,3r,4s)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid 2beta-(3,4-Dimethoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)-1-(dibutylcarbamoylmethyl)pyrrolidine-3alpha-carboxylic acid BDBM50106403 |
Inchi Key | AMGMEJZMJQUMLN-WVLFPKRMSA-N |
Inchi ID | InChI=1S/C30H40N2O7/c1-5-7-13-31(14-8-6-2)27(33)18-32-17-22(20-9-12-24-26(15-20)39-19-38-24)28(30(34)35)29(32)21-10-11-23(36-3)25(16-21)37-4/h9-12,15-16,22,28-29H,5-8,13-14,17-19H2,1-4H3,(H,34,35)/t22-,28-,29+/m1/s1 |
PubChem CID | 11827657 |
ChEMBL | CHEMBL129220 |
IUPHAR | N/A |
BindingDB | 50106403 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 300.0 nM | PMID11689084 | BindingDB,ChEMBL |
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