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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 | CHEMBL285746 |
---|---|
Molecular formula | C32H33N9O3S2 |
IUPAC name | N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetamide |
Molecular weight | 655.796 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 3.2 |
Synonyms | BDBM50287241 N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-2-[2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetamide |
Inchi Key | TYYIQPKNUREZGD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H33N9O3S2/c1-20-8-7-11-22(16-20)36-31(44)39-28-29(43)41(25-13-6-5-12-24(25)27(38-28)21-9-3-2-4-10-21)17-26(42)35-14-15-45-18-23-19-46-32(37-23)40-30(33)34/h2-13,16,19,28H,14-15,17-18H2,1H3,(H,35,42)(H2,36,39,44)(H4,33,34,37,40) |
PubChem CID | 44280252 |
ChEMBL | CHEMBL285746 |
IUPHAR | N/A |
BindingDB | 50287241 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | <10000.0 nM | Bioorg. Med. Chem. Lett., (1996) 6:13:1421 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417