Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GUK : Summary

Code

GUK

One-letter code

X

Molecule name

6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine

Formula

C16 H15 Cl N6

Formal charge

0

Molecular weight

326.784 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3
SMILES OpenEye OEToolkits 2.0.6 CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl
Canonical SMILES CACTVS 3.385 CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl

IUPAC InChI

InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)

IUPAC InChI key

TZFOHQPMYQZELA-UHFFFAOYSA-N
GUK

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-10

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned