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Name | B1 bradykinin receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Bdkrb1 |
Synonym | KB1 bradykinin receptor BKR1 BK-1 receptor B1R [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 337 |
Amino acid sequence | MASEVLLELQPSNRSLQAPANITSCESALEDWDLLYRVLPGFVITICFFGLLGNLLVLSFFLLPWRQWWWQQRQRQQRLTIAEIYLANLAASDLVFVLGLPFWAENIGNRFNWPFGTDLCRVVSGVIKANLFVSIFLVVAISQDRYRLLVYPMTSWGYRRRRQAQATCLLIWVAGGLLSIPTFLLRSVKVVPDLNVSACILLFPHEAWHFARMVELNVLGFLLPVTAIIFFNYHILASLRGQKEASRTRCGGPKGSKTTGLILTLVASFLVCWCPYHFFAFLDFLVQVRVIQDCSWKEITDLGLQLANFFAFVNSCLNPLIYVFAGRLLKTRVLGTL |
UniProt | P97583 |
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 | CHEMBL4613 |
IUPHAR | 41 |
DrugBank | N/A |
Name | CHEMBL315388 |
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Molecular formula | C42H72N10O8 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-2-[13-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]tridecanoylamino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
Molecular weight | 845.1 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | -0.5 |
Synonyms | BDBM50290545 (S)-2-{[(S)-1-((S)-2-{13-[(S)-2-((S)-2,6-Diamino-hexanoylamino)-5-guanidino-pentanoylamino]-tridecanoylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionic acid |
Inchi Key | YXJFPVFZYQAHPA-ZZTWKDBPSA-N |
Inchi ID | InChI=1S/C42H72N10O8/c43-24-14-13-20-31(44)37(55)50-32(21-16-26-48-42(45)46)38(56)47-25-15-8-6-4-2-1-3-5-7-12-23-36(54)49-34(29-53)40(58)52-27-17-22-35(52)39(57)51-33(41(59)60)28-30-18-10-9-11-19-30/h9-11,18-19,31-35,53H,1-8,12-17,20-29,43-44H2,(H,47,56)(H,49,54)(H,50,55)(H,51,57)(H,59,60)(H4,45,46,48)/t31-,32-,33-,34-,35-/m0/s1 |
PubChem CID | 44323260 |
ChEMBL | CHEMBL315388 |
IUPHAR | N/A |
BindingDB | 50290545 |
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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EC50 | 980.0 nM | , Bioorg. Med. Chem. Lett., (1997) 7:20:2661 | BindingDB,ChEMBL |
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