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Name | B1 bradykinin receptor |
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Species | Homo sapiens (Human) |
Gene | BDKRB1 |
Synonym | kinin B1 receptor bradykinin receptor BKR1 BK-1 receptor B1R [ Show all ] |
Disease | Diabetic macular edema Rheumatoid arthritis Pain Osteoarthritis |
Length | 353 |
Amino acid sequence | MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN |
UniProt | P46663 |
Protein Data Bank | N/A |
GPCR-HGmod model | P46663 |
3D structure model | This predicted structure model is from GPCR-EXP P46663. |
BioLiP | N/A |
Therapeutic Target Database | T58589 |
ChEMBL | CHEMBL4308 |
IUPHAR | 41 |
DrugBank | BE0005831 |
Name | CHEMBL2369827 |
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Molecular formula | C47H75N13O11 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid |
Molecular weight | 998.197 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 11 |
XlogP | -4.1 |
Synonyms | N/A |
Inchi Key | AGTPZUQKOYEAOH-FNTPXREUSA-N |
Inchi ID | InChI=1S/C47H75N13O11/c1-28(2)24-33(46(70)71)56-42(66)36-17-10-21-58(36)44(68)34(27-61)57-40(64)32(25-29-12-4-3-5-13-29)54-38(62)26-53-41(65)35-16-9-22-59(35)45(69)37-18-11-23-60(37)43(67)31(15-8-20-52-47(50)51)55-39(63)30(49)14-6-7-19-48/h3-5,12-13,28,30-37,61H,6-11,14-27,48-49H2,1-2H3,(H,53,65)(H,54,62)(H,55,63)(H,56,66)(H,57,64)(H,70,71)(H4,50,51,52)/t30-,31+,32-,33-,34-,35-,36-,37-/m0/s1 |
PubChem CID | 73354498 |
ChEMBL | CHEMBL2369827 |
IUPHAR | N/A |
BindingDB | N/A |
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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Ki | 0.9 nM | PMID10882364 | ChEMBL |
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