Target
Transporter
Ligand
BDBM50099288
Substrate
n/a
Meas. Tech.
ChEMBL_143105 (CHEMBL749355)
Ki
252±n/a nM
Citation
 Petukhov, PAZhang, JWang, CZYe, YPJohnson, KMKozikowski, AP Synthesis, molecular modeling, and biological studies of novel piperidine-based analogues of cocaine: evidence of unfavorable interactions proximal to the 3alpha-position of the piperidine ring. J Med Chem 47:3009-18 (2004) [PubMed]  Article 
Target
Name:
Transporter
Synonyms:
Monoamine transporters; Norepininephrine & dopamine | Norepinephrine Monoamine transporters
Type:
PROTEIN
Mol. Mass.:
66787.87
Organism:
Rattus norvegicus
Description:
ChEMBL_1463061
Residue:
597
Sequence:
MVTRTRETWGKKIDFLLSVVGFAVDLANVWRFPYLCYKNGGGAFLIPYTLFLIIAGMPLFYMELALGQFNREGAATVWKICPFFKGVGYAVILIALYVGFYYNVIIAWSLYYLFASFTLNLPWTNCGHAWNSPNCTDPKLLNASVLGDHTKYSKYKFTPAAEFYERGVLHLHESSGIHDIGLPQWQLLLCLMVVIVVLYVSLWKGVKTSGKVVWITATLPYFVLFVLLVHGVTLPGASNGINAYLHIDFYRLKEATVWIDAATQIFFSLGAGFGVLIAFASYNKFDNNCYRDALLTSTINCVTSFISGFAIFSILGYMAHEHKVKIEDVATEGAGLVFVLYPEAISTLSGSTFWAVLFFLMLLALGLDSSMGGMEAVITGLADDFQVLKRHRKLFTCAVTLGTFLLAMFCITKGGIYVLTLLDTFAAGTSILFAVLMEAIGVSWFYGVDRFSNDIQQMMGFKPGLYWRLCWKFVSPAFLLFVVVVSIINFKPLTYDDYVYPPWANWVGWGIALSSMILVPAYVIYKFFSIRGSLWERVAYGITPENEHHLLALEIELSSLQSFVITSCPIDPLLSSFLFISCQKTLVFKKSGPAPLI
  
Inhibitor
Name:
BDBM50099288
Synonyms:
(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester | 4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester | CHEMBL296019
Type:
Small organic molecule
Emp. Form.:
C14H18ClNO2
Mol. Mass.:
267.751
SMILES:
COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: