UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1661
1661

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Popular Name: Melphalan Melphalan

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103204-1-O A427 (cluster #1 Of 4), Other Other 5130 0.39 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.37 Functional ≤ 10μM
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 3240 0.40 Functional ≤ 10μM
Z80008-2-O 5637 (Epithelial Bladder Carcinoma Cells) (cluster #2 Of 3), Other Other 310 0.48 Functional ≤ 10μM
Z80035-2-O B16 (Melanoma Cells) (cluster #2 Of 7), Other Other 2200 0.42 Functional ≤ 10μM
Z80064-7-O CCRF-CEM (T-cell Leukemia) (cluster #7 Of 9), Other Other 6170 0.38 Functional ≤ 10μM
Z80112-1-O DAN-G (cluster #1 Of 2), Other Other 2650 0.41 Functional ≤ 10μM
Z80156-4-O HL-60 (Promyeloblast Leukemia Cells) (cluster #4 Of 12), Other Other 2040 0.42 Functional ≤ 10μM
Z80193-10-O L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other Other 981 0.44 Functional ≤ 10μM
Z80211-2-O LoVo (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other Other 4900 0.39 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 5700 0.39 Functional ≤ 10μM
Z80231-2-O MCF7S (Breast Carcinoma Cells) (cluster #2 Of 2), Other Other 300 0.48 Functional ≤ 10μM
Z80285-2-O MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other Other 3240 0.40 Functional ≤ 10μM
Z80362-3-O P388 (Lymphoma Cells) (cluster #3 Of 8), Other Other 220 0.49 Functional ≤ 10μM
Z80473-1-O SISO (cluster #1 Of 2), Other Other 1000 0.44 Functional ≤ 10μM
Z80604-1-O YAPC (cluster #1 Of 2), Other Other 5950 0.39 Functional ≤ 10μM
Z80807-1-O D283 Cell Line (cluster #1 Of 1), Other Other 6800 0.38 Functional ≤ 10μM
Z80874-3-O CEM (T-cell Leukemia) (cluster #3 Of 7), Other Other 2500 0.41 Functional ≤ 10μM
Z80887-1-O H2981 Cell Line (cluster #1 Of 1), Other Other 5000 0.39 Functional ≤ 10μM
Z81072-6-O Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other Other 2200 0.42 Functional ≤ 10μM
Z81235-1-O M4Beu Cell Line (cluster #1 Of 1), Other Other 1200 0.44 Functional ≤ 10μM
Z81247-2-O HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other Other 1900 0.42 Functional ≤ 10μM
Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 5700 0.39 Functional ≤ 10μM
Z81338-1-O T-cells (cluster #1 Of 3), Other Other 2200 0.42 Functional ≤ 10μM
Z80874-2-O CEM (T-cell Leukemia) (cluster #2 Of 4), Other Other 2470 0.41 ADME/T ≤ 10μM
Z81325-1-O SR (Leukemia Cells) (cluster #1 Of 1), Other Other 1860 0.42 ADME/T ≤ 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) 0.08 6.61 -40.9 3 4 0 71 305.205 8 ↓

Parameters Provided:

target.name = Z81325-1-O
target.type = A10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z81325-1-O' AND t.atype_fk = 4 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z81325-1-O&target.type=A10&filter.purchasability=purchasable

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