Chemical Components in the PDB

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GGU : Summary

Code

GGU

One-letter code

X

Molecule name

2-(6-amino-5-phenylpyridazin-3-yl)phenol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(6-amino-5-phenylpyridazin-3-yl)phenol
OpenEye OEToolkits 2.0.7 2-(6-azanyl-5-phenyl-pyridazin-3-yl)phenol

Formula

C16 H13 N3 O

Formal charge

0

Molecular weight

263.294 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1ccccc1c1cc(c(N)nn1)c1ccccc1
SMILES CACTVS 3.385 Nc1nnc(cc1c2ccccc2)c3ccccc3O
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cc(nnc2N)c3ccccc3O
Canonical SMILES CACTVS 3.385 Nc1nnc(cc1c2ccccc2)c3ccccc3O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cc(nnc2N)c3ccccc3O

IUPAC InChI

InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)

IUPAC InChI key

SDAWPVIWTVUTCC-UHFFFAOYSA-N
GGU

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-12-21

Last modified at

2022-08-12

Status

Released

Obsoleted

Not Assigned