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Name | Histamine H2 receptor |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Hrh2 |
Synonym | gastric receptor I H2 receptor H2R HH2R |
Disease | N/A for non-human GPCRs |
Length | 358 |
Amino acid sequence | MEPNGTVHSCCLDSMALKVTISVVLTTLILITIAGNVVVCLAVSLNRRLRSLTNCFIVSLAATDLLLGLLVLPFSAIYQLSFTWSFGHVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLVTPVRVAISLVFIWVISITLSFLSIHLGWNSRNGTRGGNDTFKCKVQVNEVYGLVDGLVTFYLPLLIMCVTYYRIFKIAREQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEAVEGIVLWLGYANSALNPILYAALNRDFRTAYQQLFHCKFASHNSHKTSLRLNNSLLPRSQSREGRWQEEKPLKLQVWSGTELTHPQGNPIR |
UniProt | P25102 |
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 | CHEMBL4654 |
IUPHAR | 263 |
DrugBank | N/A |
Name | CHEMBL286475 |
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Molecular formula | C43H49N7O5 |
IUPAC name | 3-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide |
Molecular weight | 743.909 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 5.1 |
Synonyms | BDBM50287252 3-{2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-propionamide |
Inchi Key | OXSCWQUFMCTAJL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C43H49N7O5/c1-31-13-10-17-34(27-31)46-43(54)48-41-42(53)50(37-20-7-6-19-36(37)40(47-41)33-15-4-2-5-16-33)30-39(52)45-23-21-38(51)44-22-12-26-55-35-18-11-14-32(28-35)29-49-24-8-3-9-25-49/h2,4-7,10-11,13-20,27-28,41H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,52)(H2,46,48,54) |
PubChem CID | 44280225 |
ChEMBL | CHEMBL286475 |
IUPHAR | N/A |
BindingDB | 50287252 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 794.33 nM | Bioorg. Med. Chem. Lett., (1996) 6:13:1421 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417