Chemical Components in the PDB

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GXK : Summary

Code

GXK

One-letter code

X

Molecule name

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

Systematic names

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

Formula

C17 H15 Cl N6

Formal charge

0

Molecular weight

338.794 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4
SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2
Canonical SMILES CACTVS 3.385 Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2

IUPAC InChI

InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)

IUPAC InChI key

FLFMYUGDCXTOQI-UHFFFAOYSA-N
GXK

wwPDB Information

Atom count

39 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-16

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned