-->
Receptor
PDB id Resolution Class Description Source Keywords
6BSL 1.45 Å NON-ENZYME: TRANSCRIPT_TRANSLATE BMP1 COMPLEXED WITH A REVERSE HYDROXYMATE - COMPOUND 22 HOMO SAPIENS ENDOPEPTIDASE HYDROLASE
Ref.: REVERSE HYDROXAMATE INHIBITORS OF BONE MORPHOGENETI 1. ACS MED CHEM LETT V. 9 736 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:302;
A:303;
A:302;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
ALA A:201;
Invalid;
none;
submit data
89.093 C3 H7 N O2 C[C@@...
SCN B:301;
A:301;
Invalid;
Invalid;
none;
none;
submit data
58.082 C N S C(#N)...
EDO B:304;
B:303;
A:305;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
EVV A:304;
Valid;
none;
Ki = 6.8 pM
632.659 C30 H40 N4 O11 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BSL 1.45 Å NON-ENZYME: TRANSCRIPT_TRANSLATE BMP1 COMPLEXED WITH A REVERSE HYDROXYMATE - COMPOUND 22 HOMO SAPIENS ENDOPEPTIDASE HYDROLASE
Ref.: REVERSE HYDROXAMATE INHIBITORS OF BONE MORPHOGENETI 1. ACS MED CHEM LETT V. 9 736 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 6BSL Ki = 6.8 pM EVV C30 H40 N4 O11 CCCCC[C@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 6BSL Ki = 6.8 pM EVV C30 H40 N4 O11 CCCCC[C@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 6BSL Ki = 6.8 pM EVV C30 H40 N4 O11 CCCCC[C@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EVV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EVV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BSL; Ligand: EVV; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 6bsl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2QX0 PH2 1.25786
2 1O9U ADZ 1.48515
3 2XI7 XI7 2.71739
4 6EOM ALA LYS 3.46535
5 1GEG NAD 3.46535
6 5EB4 FAD 3.46535
7 4W6Z ETF 3.9604
8 5H4S RAM 3.9604
9 4KQL 1SG 3.9604
10 3DEK RXD 3.9604
11 1KAP GLY SER ASN SER 4.45545
12 3Q2H QHF 4.45545
13 2FV5 541 4.45545
14 2ZWS PLM 4.9505
15 2TCL RO4 5.32544
16 3ZVS MLI 6.25
17 1ZVX FIN 6.74847
18 5VLQ ANP 6.93069
19 5H0U HIS HIS HIS HIS HIS HIS 7.05882
20 6MJ7 ARG 7.27273
21 4B0T ADP 7.42574
22 4LAE 1VM 9.58084
23 4LAE NAP 9.58084
24 3PE2 E1B 10.8911
25 4NFE BEN 12.8713
26 1I1E DM2 14.8515
27 3WV1 WHH 19.883
28 4WZV E40 20
29 1HFS L04 22.5
APoc FAQ
Feedback