UCSF

ZINC12402866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 23 No

Popular Name: Cyclic GMP Cyclic GMP

Find On: PubMed — Wikipedia — Google

CAS Numbers: 40732-48-7 , 7665-99-8

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) -2.87 -8.07 -59.49 4 12 -1 178 344.2 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ABCCB_HUMAN; ADFA_TENMO; ADFB_TENMO; ANAN_STRCD; ANF39_ORNAN; ANFB_BOVIN; ANFB_CANFA; ANFB_FELCA; ANFB_HUMAN; ANFB_MOUSE; ANFB_PIG; ANFB_RAT; ANFB_SHEEP; ANFB_TAKRU; ANFC1_ONCMY; ANFC1_ORYLA; ANFC1_TAKRU; ANFC2_ONCMY; ANFC2_ORYLA; ANFC2_TAKRU; ANFC3_ORYLA ChEBI
UniProt Database Links ANPRA_HUMAN; ANPRA_MOUSE; ANPRA_RAT; ANPRB_ANGJA; ANPRB_BOVIN; ANPRB_HUMAN; ANPRB_MOUSE; ANPRB_RAT; CNCG_BOVIN; CNCG_HUMAN; CNCG_MOUSE; CNCG_RAT; CNCG_SPETR; CNRG_BOVIN; CNRG_CANFA; CNRG_CAVPO; CNRG_FELCA; CNRG_HUMAN; CNRG_MOUSE; GCA_DICDI; GCY1_CAEEL; GC ChEBI
Reactome Database Links REACT_163682; REACT_163760; REACT_163894; REACT_163996; REACT_164008; REACT_172625; REACT_172760; REACT_23790; REACT_23934; REACT_23959 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
E1BN64-1-E Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.43 Binding ≤ 10μM
PDE3A-1-E Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic Eukaryotes 2400 0.34 Binding ≤ 10μM
PDE3B-1-E Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic Eukaryotes 2400 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
E1BN64_BOVIN E1BN64 Phosphodiesterase 3B, Bovin 100 0.43 Binding ≤ 1μM
PDE3A_HUMAN Q14432 Phosphodiesterase 3A, Human 2400 0.34 Binding ≤ 10μM
PDE3B_HUMAN Q13370 Phosphodiesterase 3B, Human 2400 0.34 Binding ≤ 10μM
E1BN64_BOVIN E1BN64 Phosphodiesterase 3B, Bovin 100 0.43 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Activation of the phototransduction cascade
Ca2+ pathway
cGMP effects
Inactivation, recovery and regulation of the phototransduction cascade
Nitric oxide stimulates guanylate cyclase

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events
PDE3B signalling

Rings

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