UCSF

ZINC64633932

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2011 35 Yes

Popular Name: XMD8-92 XMD8-92

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1234480-50-2 , [1234480-50-2]

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) 3.15 11.05 -38.43 3 9 1 99 475.573 5 ↓
Hi High (pH 8-9.5) 4.39 7.71 -20.36 5 9 0 142 523.569 8 ↓
Mid Mid (pH 6-8) 3.15 10.55 -13.54 2 9 0 97 474.565 5 ↓
Lo Low (pH 4.5-6) 3.15 11.82 -92.72 4 9 2 100 476.581 5 ↓

Vendor Notes

Note Type Comments Provided By
Target ERK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK07-1-E Mitogen-activated Protein Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK07_HUMAN Q13164 Mitogen-activated Protein Kinase 7, Human 240 0.26 Binding ≤ 1μM
MK07_HUMAN Q13164 Mitogen-activated Protein Kinase 7, Human 240 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ERK/MAPK targets
ERKs are inactivated
Gastrin-CREB signalling pathway via PKC and MAPK
Senescence-Associated Secretory Phenotype (SASP)
Signalling to ERK5

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

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