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Receptor
PDB id Resolution Class Description Source Keywords
3PGL 2.35 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF HUMAN SMALL C-TERMINAL DOMAIN PHOSPHATA (SCP1) BOUND TO RABEPRAZOLE HOMO SAPIENS HAD FAMILY INSERTION DOMAIN CTD PHOSPHATASE NEURONAL SILEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: SELECTIVE INACTIVATION OF A HUMAN NEURONAL SILENCIN PHOSPHATASE BY A SMALL MOLECULE INHIBITOR. ACS CHEM.BIOL. V. 6 511 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1;
B:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
RZX A:257;
Valid;
none;
Ki = 5 uM
359.443 C18 H21 N3 O3 S Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PGL 2.35 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF HUMAN SMALL C-TERMINAL DOMAIN PHOSPHATA (SCP1) BOUND TO RABEPRAZOLE HOMO SAPIENS HAD FAMILY INSERTION DOMAIN CTD PHOSPHATASE NEURONAL SILEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: SELECTIVE INACTIVATION OF A HUMAN NEURONAL SILENCIN PHOSPHATASE BY A SMALL MOLECULE INHIBITOR. ACS CHEM.BIOL. V. 6 511 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RZX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RZX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PGL; Ligand: RZX; Similar sites found with APoc: 38
This union binding pocket(no: 1) in the query (biounit: 3pgl.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2IL4 COA None
2 3IS2 FAD None
3 6ECU SAH 1.11111
4 1DMY AZM 2.77778
5 1ZGD NAP 3.20513
6 4RVG TYD 3.88889
7 2XK9 XK9 3.88889
8 4COQ SAN 3.88889
9 4G7A AZM 4.44444
10 2BD0 BIO 4.44444
11 4YGF AZM 5
12 1G3M PCQ 5
13 1G3M A3P 5
14 5CJF 520 5
15 1VHD NAP 5.55556
16 4XXH T6P 5.55556
17 4D9M 0JO 5.55556
18 1O2D NAP 5.55556
19 3BEJ MUF 5.55556
20 4ITU 1HS 6.3197
21 4U03 GTP 7.22222
22 2Q0L NAP 7.22222
23 2RH1 CAU 7.77778
24 5HSS 64Z 7.77778
25 1V35 NAI 7.77778
26 5BO9 CSF 8.33333
27 1FKB RAP 8.41121
28 5DQ8 FLF 9.16667
29 2FY3 CHT 9.44444
30 2MAS PIR 11.1111
31 1TW4 CHD 11.2
32 1XPM HMG 12.2222
33 5IKH 6BW 12.2222
34 5Z84 PSC 13.0435
35 1XAP TTB 13.3333
36 5YVR NDP 14.4444
37 5ODQ 9SB 14.4444
38 3VZ3 NAP 15
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