Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM50240485
Substrate
n/a
Meas. Tech.
ChEMBL_29917 (CHEMBL641280)
Kd
80000±n/a nM
Citation
 Cozzini, P; Fornabaio, M; Marabotti, A; Abraham, DJ; Kellogg, GE; Mozzarelli, A Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. J Med Chem 45:2469-83 (2002) [PubMed]  Article 
Target
Name:
Fatty acid-binding protein, adipocyte
Synonyms:
A-FABP | AFABP | ALBP | Adipocyte lipid-binding protein | FABP4 | FABP4_HUMAN | Fatty acid binding protein adipocyte | Fatty acid-binding protein 4 | Fatty acid-binding protein 4 (FABP4)
Type:
Enzyme
Mol. Mass.:
14719.23
Organism:
Homo sapiens (Human)
Description:
P15090
Residue:
132
Sequence:
MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
  
Inhibitor
Name:
BDBM50240485
Synonyms:
18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Octadecanoic acid | Octadecansaeure | Oktadekansaeure | Stearinsaeure | acide octadecanoique | acide stearique | n-octadecanoic acid | octadecoic acid | stearic acid
Type:
Small organic molecule
Emp. Form.:
C18H36O2
Mol. Mass.:
284.4772
SMILES:
CCCCCCCCCCCCCCCCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: