UCSF
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Popular Name: 2-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylcarbamoyl]indan-2-yl]amino]-1-(cyclohexylmethyl)-2-oxo- 2-[[(1R)-2-[[2-[(4-carbamimidoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PROC-1-E Vitamin K-dependent Protein C (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1250 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PROC_HUMAN P04070 Vitamin K-dependent Protein C, Human 100 0.26 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 1250 0.22 Binding ≤ 10μM
PROC_HUMAN P04070 Vitamin K-dependent Protein C, Human 100 0.26 Binding ≤ 10μM

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) 1.01 9.4 -92.63 8 9 1 167 520.654 11 ↓
Hi High (pH 8-9.5) 1.01 8.14 -91.02 7 9 0 162 519.646 11 ↓

Parameters Provided:

ring.id = 52104
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 52104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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