BDBM286 (2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid::5-CHO-H4PteGlu1::Folinic Acid::LEUCOVORIN CALCIUM::LEVOLEUCOVORIN CALCIUM::Leucovorin::Levoleucovorin

SMILES c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N

InChI Key InChIKey=VVIAGPKUTFNRDU-UHFFFAOYSA-N

Data  1 KI  1 ITC

PDB links: 24 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 286   

TargetSolute carrier organic anion transporter family member 1A3(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM286((2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,...)
Affinity DataKi:  8.20E+3nMAssay Description:TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing MDCK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 286   

CellSerine Hydroxymethyltransferase(Rabbit)
Elan Pharmaceuticals

SyringePNGBDBM286((2S)-2-{[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,...)
ITC DataΔG°: -7.09kcal/mole ΔH°: 8.79kcal/mole logk: 1.70E+5
T: 25.00°C