UCSF

ZINC01912275

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 35 Yes

Popular Name: BMS-1 BMS-1

Find On: PubMed — Wikipedia — Google

Other Names:

DNC007745

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.10 15.6 -18.89 1 5 0 56 471.576 11 ↓
Mid Mid (pH 6-8) 6.10 16.01 -38.21 2 5 1 57 472.584 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-1-E Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 1.7 0.35 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 2 0.35 Binding ≤ 1μM
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 2 0.35 Binding ≤ 10μM
FAAH1_HUMAN O00519 Anandamide Amidohydrolase, Human 1.7 0.35 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.