http://rdf.ncbi.nlm.nih.gov/pubchem/patent/JP-H07133233-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_c873b45c172c346e8caf7e61959b8589 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07B61-00 |
| filingDate | 1993-11-11-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_1b9d4c9770d1e0639e2bbf062cb08c56 |
| publicationDate | 1995-05-23-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | JP-H07133233-A |
| titleOfInvention | Method for constructing molecular structure of bioactive ligand |
| abstract | (57) [Summary] [Structure] A method for constructing a molecular structure of a ligand having physiological activity, comprising: (i) disposing two or more functional groups presumed to be essential for the physiological activity of the ligand. A first step of designating the position and direction of the functional group, (ii) a second step of setting a combination of two functional groups to be linked from the functional groups arranged in the first step, (iii) a ligand Third step of creating a series of atomic population tables for constructing the molecular structure of (iv) From the series of atomic population tables created in the third step, it was set to connect in the second step. The fourth step of forming a skeleton of the ligand molecule by selecting one that connects two functional groups and creating a binding pathway between the two functional groups, and (v) the molecular structure of the constructed ligand is Including a fifth step of determining whether or not the hole fits The method described above. By the method of the present invention, a novel ligand compound having physiological activity can be predicted with high probability. In addition, the method of the present invention enables rapid molecular design of a novel ligand compound having physiological activity. |
| isCitedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2014147744-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-6549900-B2 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/JP-WO2014147744-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-6490588-B2 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-6389378-B2 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-02079784-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-0052057-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-0244112-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/JP-WO2002079784-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-9069700-B2 |
| priorityDate | 1993-11-11-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 30.