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Name | Histamine H2 receptor |
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Species | Homo sapiens (Human) |
Gene | HRH2 |
Synonym | HH2R H2R Gastric receptor I H2 receptor |
Disease | Ulcerative colitis Pain Peptic ulcer Gastroesophageal reflux disease Gastric ulcer [ Show all ] |
Length | 359 |
Amino acid sequence | MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR |
UniProt | P25021 |
Protein Data Bank | N/A |
GPCR-HGmod model | P25021 |
3D structure model | This predicted structure model is from GPCR-EXP P25021. |
BioLiP | N/A |
Therapeutic Target Database | T30985 |
ChEMBL | CHEMBL1941 |
IUPHAR | 263 |
DrugBank | BE0000112 |
Name | CHEMBL105071 |
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Molecular formula | C27H36N2O4S |
IUPAC name | 4-tert-butyl-N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide |
Molecular weight | 484.655 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50119725 N-[(3S)-1-[3-[4-(Cyclopropylcarbonyl)phenoxy]propyl]pyrrolidine-3beta-yl]-4-tert-butylbenzenesulfonamide 4-tert-Butyl-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenoxy)-propyl]-pyrrolidin-3-yl}-benzenesulfonamide |
Inchi Key | BTXYSVCTMDAUJN-QHCPKHFHSA-N |
Inchi ID | InChI=1S/C27H36N2O4S/c1-27(2,3)22-9-13-25(14-10-22)34(31,32)28-23-15-17-29(19-23)16-4-18-33-24-11-7-21(8-12-24)26(30)20-5-6-20/h7-14,20,23,28H,4-6,15-19H2,1-3H3/t23-/m0/s1 |
PubChem CID | 44334369 |
ChEMBL | CHEMBL105071 |
IUPHAR | N/A |
BindingDB | 50119725 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 730.0 nM | PMID12372500 | BindingDB,ChEMBL |
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