PKG Substrate

CAT: 0931-TP1787-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TP1787-01Size:1 mg

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CAS Number

81187-14-6

Target

PKA

Related Pathways

Tyrosine Kinase/Adaptors

Bioactivity

PKG Substrate is a selective substrate for cGMP-dependent protein kinase (PKG), showing a strong preference for PKG Iα (Km = 59 μM) over PKG II (Km = 305 μM) .

Smiles

[C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CCCCN)=O)(C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(O)=O)=O)C)=O)CCCNC(=N)N)=O)CO)=O)CCCNC(=N)N

Molecular Formula

C35H67N17O11

Molecular Weight

902.01

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PKG Substrate

CAS Number	81187-14-6
PubChem CID	57358765
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]pentanedioic acid
Molecular Formula	C35H67N17O11
Molecular Weight	902.0
XLogP	-12.2
Topological Polar Surface Area	515
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	33
Heavy Atom Count	63
Formal Charge	0
Complexity	1600

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C35H67N17O11/c1-18(26(56)51-23(32(62)63)11-12-25(54)55)47-28(58)21(9-5-15-45-34(40)41)50-31(61)24(17-53)52-30(60)22(10-6-16-46-35(42)43)49-29(59)20(8-2-3-13-36)48-27(57)19(37)7-4-14-44-33(38)39/h18-24,53H,2-17,36-37H2,1H3,(H,47,58)(H,48,57)(H,49,59)(H,50,61)(H,51,56)(H,52,60)(H,54,55)(H,62,63)(H4,38,39,44)(H4,40,41,45)(H4,42,43,46)/t18-,19-,20-,21-,22-,23-,24-/m0/s1

InChIKey

BVKSYBQAXBWINI-LQDRYOBXSA-N

Chemical Structure

2D Structure

CAS: 81187-14-6

CID: 57358765

Formula: C35H67N17O11

MW: 902.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	902.0
XLogP3	-12.2
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	33
Exact Mass	901.52059602
Monoisotopic Mass	901.52059602
Topological Polar Surface Area	515 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1600
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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