UCSF

ZINC03920670

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 45 No

Popular Name: CI-988 CI-988

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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) 4.69 -4.42 -53.62 4 10 -1 152 613.735 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCKAR-1-E Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.17 Binding ≤ 10μM
CCKAR-1-E Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.17 Binding ≤ 10μM
CCKAR-1-E Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.17 Binding ≤ 10μM
CCKAR-1-E Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.17 Binding ≤ 10μM
GASR-1-E Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.27 Binding ≤ 10μM
GASR-1-E Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.27 Binding ≤ 10μM
GASR-1-E Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 63 0.22 Binding ≤ 10μM
GASR-1-E Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.17 Binding ≤ 10μM
GASR-1-E Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCKAR_RAT P30551 Cholecystokinin A Receptor, Rat 1.7 0.27 Binding ≤ 1μM
GASR_MOUSE P56481 Cholecystokinin B Receptor, Mouse 1.7 0.27 Binding ≤ 1μM
GASR_HUMAN P32239 Cholecystokinin B Receptor, Human 0.98 0.28 Binding ≤ 1μM
GASR_RAT P30553 Cholecystokinin B Receptor, Rat 7.3 0.25 Binding ≤ 1μM
CCKAR_RAT P30551 Cholecystokinin A Receptor, Rat 4300 0.17 Binding ≤ 10μM
GASR_MOUSE P56481 Cholecystokinin B Receptor, Mouse 1.7 0.27 Binding ≤ 10μM
GASR_HUMAN P32239 Cholecystokinin B Receptor, Human 0.98 0.28 Binding ≤ 10μM
GASR_RAT P30553 Cholecystokinin B Receptor, Rat 7.3 0.25 Binding ≤ 10μM
GASR_RAT P30553 Cholecystokinin B Receptor, Rat 30 0.23 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide ligand-binding receptors

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