Receptor
PDB id Resolution Class Description Source Keywords
4RYL 2.1 Å NON-ENZYME: OTHER HUMAN PROTEIN ARGININE METHYLTRANSFERASE 3 IN COMPLEX WITH 1 ISOQUINOLIN-6-YL-3-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]UREA HOMO SAPIENS PRMT3 SGC707 STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSTRANSFERASE
Ref.: A POTENT, SELECTIVE AND CELL-ACTIVE ALLOSTERIC INHI PROTEIN ARGININE METHYLTRANSFERASE 3 (PRMT3). ANGEW.CHEM.INT.ED.ENGL. V. 54 5166 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3ZG A:601;
Valid;
none;
Kd = 53 nM
298.34 C16 H18 N4 O2 c1cc2...
UNX A:603;
A:602;
Invalid;
Invalid;
none;
none;
submit data
n/a X *
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RYL 2.1 Å NON-ENZYME: OTHER HUMAN PROTEIN ARGININE METHYLTRANSFERASE 3 IN COMPLEX WITH 1 ISOQUINOLIN-6-YL-3-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]UREA HOMO SAPIENS PRMT3 SGC707 STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSTRANSFERASE
Ref.: A POTENT, SELECTIVE AND CELL-ACTIVE ALLOSTERIC INHI PROTEIN ARGININE METHYLTRANSFERASE 3 (PRMT3). ANGEW.CHEM.INT.ED.ENGL. V. 54 5166 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4RYL Kd = 53 nM 3ZG C16 H18 N4 O2 c1cc2cnccc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 1F3L - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4RYL Kd = 53 nM 3ZG C16 H18 N4 O2 c1cc2cnccc....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
4 4Y30 ic50 = 10 nM 49L C25 H38 N4 O3 CNCCN(C)Cc....
5 4Y2H ic50 = 0.011 uM 49K C13 H17 F N4 CN(CCN)Cc1....
6 5EGS Kd = 0.97 uM 5NR C14 H22 N2 c1ccc(cc1)....
7 4RYL Kd = 53 nM 3ZG C16 H18 N4 O2 c1cc2cnccc....
8 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 6S7C Kd = 3.32 uM KY2 C17 H30 N10 O3 [H]/N=C(N)....
11 6IZQ ic50 = 3.19 uM XJ2 C14 H22 N2 O CNC[C@H](C....
12 6S70 Kd = 9.8 uM KYB C19 H34 N10 O3 [H]/N=C(/N....
13 2Y1W - SFG C15 H23 N7 O5 c1nc(c2c(n....
14 5DXJ - SFG C15 H23 N7 O5 c1nc(c2c(n....
15 6S71 Kd = 38.1 uM KYE C20 H34 N10 O5 [H]/N=C(/N....
16 3B3F - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3ZG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3ZG 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3ZG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RYL; Ligand: 3ZG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4ryl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RYL; Ligand: 3ZG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ryl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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