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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 | CHEMBL29331 |
---|---|
Molecular formula | C46H55N7O5 |
IUPAC name | 6-[[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]hexanamide |
Molecular weight | 785.99 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 6.2 |
Synonyms | BDBM50287238 6-{2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-hexanoic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-amide |
Inchi Key | KABZRBRZZFAAPS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C46H55N7O5/c1-34-16-13-20-37(30-34)49-46(57)51-44-45(56)53(40-23-9-8-22-39(40)43(50-44)36-18-5-2-6-19-36)33-42(55)48-25-10-3-7-24-41(54)47-26-15-29-58-38-21-14-17-35(31-38)32-52-27-11-4-12-28-52/h2,5-6,8-9,13-14,16-23,30-31,44H,3-4,7,10-12,15,24-29,32-33H2,1H3,(H,47,54)(H,48,55)(H2,49,51,57) |
PubChem CID | 44280200 |
ChEMBL | CHEMBL29331 |
IUPHAR | N/A |
BindingDB | 50287238 |
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 | 398.11 nM | Bioorg. Med. Chem. Lett., (1996) 6:13:1421 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417