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GIO : Summary
Code ![](/pdbe/static/images/help.png)
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GIO
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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CYCLO-(GLYCINE-L-PROLINE) INHIBITOR
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C7 H10 N2 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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154.166 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1N2C(C(=O)NC1)CCC2 |
SMILES
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CACTVS |
3.341 |
O=C1CNC(=O)[CH]2CCCN12 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CC2C(=O)NCC(=O)N2C1 |
Canonical SMILES
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CACTVS |
3.341 |
O=C1CNC(=O)[C@@H]2CCCN12 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C[C@H]2C(=O)NCC(=O)N2C1 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)/t5-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OWOHLURDBZHNGG-YFKPBYRVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2004-06-23
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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GIO : Atoms of Molecule
Total Number of Atoms: 21
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
OP |
O |
OP |
N |
N |
N |
0 |
2.637 |
0.311 |
-0.075 |
2 |
CP |
C |
CP |
N |
N |
N |
0 |
1.54 |
-0.015 |
0.327 |
3 |
CAP |
C |
CAP |
S |
N |
N |
0 |
0.518 |
-0.573 |
-0.631 |
4 |
CBP |
C |
CBP |
N |
N |
N |
0 |
0.7 |
0.075 |
-2.023 |
5 |
CGP |
C |
CGP |
N |
N |
N |
0 |
-0.737 |
-0.027 |
-2.602 |
6 |
CDP |
C |
CDP |
N |
N |
N |
0 |
-1.63 |
0.189 |
-1.36 |
7 |
NP |
N |
NP |
N |
N |
N |
0 |
-0.816 |
-0.135 |
-0.171 |
8 |
C |
C |
C |
N |
N |
N |
0 |
-1.147 |
-0.024 |
1.131 |
9 |
O |
O |
O |
N |
N |
N |
0 |
-2.272 |
0.277 |
1.469 |
10 |
CA |
C |
CA |
N |
N |
N |
0 |
-0.069 |
-0.295 |
2.157 |
11 |
N |
N |
N |
N |
N |
N |
0 |
1.23 |
0.119 |
1.631 |
12 |
HAP |
H |
HAP |
N |
N |
N |
0 |
0.58 |
-1.66 |
-0.687 |
13 |
HBP1 |
H |
1HBP |
N |
N |
N |
0 |
1.011 |
1.116 |
-1.932 |
14 |
HBP2 |
H |
2HBP |
N |
N |
N |
0 |
1.407 |
-0.49 |
-2.629 |
15 |
HGP1 |
H |
1HGP |
N |
N |
N |
0 |
-0.91 |
0.753 |
-3.343 |
16 |
HGP2 |
H |
2HGP |
N |
N |
N |
0 |
-0.909 |
-1.013 |
-3.033 |
17 |
HDP1 |
H |
1HDP |
N |
N |
N |
0 |
-1.967 |
1.225 |
-1.322 |
18 |
HDP2 |
H |
2HDP |
N |
N |
N |
0 |
-2.487 |
-0.482 |
-1.398 |
19 |
HAC1 |
H |
1HAC |
N |
N |
N |
0 |
-0.287 |
0.263 |
3.067 |
20 |
HAC2 |
H |
2HAC |
N |
N |
N |
0 |
-0.045 |
-1.361 |
2.384 |
21 |
H |
H |
H |
N |
N |
N |
0 |
1.885 |
0.501 |
2.236 |
GIO : Chemical Bonds
Total Number of Bonds: 22
GIO : Used in PDB Entries
Total Number of PDB Entries: 1
Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
GIO |
1w1p ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724535283244) |
Bound ligand
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2 |
1 |
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