UCSF

ZINC00155405

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 10 Yes

Popular Name: (S)-2-thienylglycine (S)-2-thienylglycine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21124-40-3 , 4052-59-9 , 43189-45-3 , 65058-23-3 , [21124-40-3]

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) -1.43 -2.91 -39.67 3 3 0 67 157.194 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 177 - 179 Enamine Building Blocks
MP 177...179 Enamine Building Blocks
MP 208 - 210 Enamine Building Blocks
melting_point 235 - 236 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 210 0.93 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_MOUSE O08532 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse 208.929613 0.94 Binding ≤ 1μM
CA2D1_MOUSE O08532 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse 208.929613 0.94 Binding ≤ 10μM

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