PDB code 3HF6
Identical Ligands in BindingDB
Found 2 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Tryptophan 5-hydroxylase 1
(288/290 > 99%)† (Homo sapiens (Human)) | BDBM50243020
((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...)Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TPH1 by continuous fluorescence assay |
Bioorg Med Chem Lett 19: 5229-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.005 BindingDB Entry DOI: 10.7270/Q2MS3SV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tryptophan 5-hydroxylase 1
(288/290 > 99%)† (Homo sapiens (Human)) | BDBM50243020
((S)-2-amino-3-(4-(4-amino-6-((R)-1-(naphthalen-2-y...)Show SMILES C[C@@H](Nc1nc(N)nc(n1)-c1ccc(C[C@H](N)C(O)=O)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of TPH1 (unknown origin) |
J Med Chem 51: 3684-7 (2008)
Article DOI: 10.1021/jm800338j BindingDB Entry DOI: 10.7270/Q2PK0FZM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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Search BindingMOAD for More Affinity Data:
* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output