Linker Information

General Information of This Linker

Linker ID	LIN0JDOYH
Linker Name	Gly3-vcPAB
Linker Type	Sortase-based site-specific conjugation linker; Cathepsin-cleavable linker
Antibody-Linker Relation	Cleavable
Structure
Structure	3D MOL		2D MOL
Formula	C30H48N10O10
Isosmiles	CC(C)C(NC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N(C)CCN(C)C(=O)O)cc1
InChI	InChI=1S/C30H48N10O10/c1-18(2)25(38-24(43)16-35-23(42)15-34-22(41)14-31)27(45)37-21(6-5-11-33-28(32)46)26(44)36-20-9-7-19(8-10-20)17-50-30(49)40(4)13-12-39(3)29(47)48/h7-10,18,21,25H,5-6,11-17,31H2,1-4H3,(H,34,41)(H,35,42)(H,36,44)(H,37,45)(H,38,43)(H,47,48)(H3,32,33,46)
InChIKey	PJLSJAJXZHXPQD-UHFFFAOYSA-N
Pharmaceutical Properties	Molecule Weight	708.774	Polar area	296.72
	Complexity	50	xlogp Value	-1.9315
	Heavy Count	50	Rot Bonds	20
	Hbond acc	10	Hbond Donor	9

Each Antibody-drug Conjugate Related to This Linker

Full Information of The Activity Data of The ADC(s) Related to This Linker

Tras-Gly3-Vakl-Cit-PAB-PNU-159682 [Investigative]

Revealed Based on the Cell Line Data

Click To Hide/Show 2 Activity Data Related to This Level

Experiment 1 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	0.24 ng/mL	High HER2 expression (HER2+++; 694,000 HER2 molecules/cell)
Method Description	Briefly, cells were plated on 96-well plates in 75 uL growth medium and grown at 37°C in a humidified incubator in a 7.5% CO₂ atmosphere. After one day incubation, 25 uL of 3.5-fold serial dilutions of each ADC in growth medium were added, typically resulting in final ADC concentrations from 20 ug/mL to 0.02 ng/mL.
In Vitro Model	Breast adenocarcinoma	SK-BR-3 cells		CVCL_0033
Experiment 2 Reporting the Activity Date of This ADC					[1]
Efficacy Data	Half Maximal Inhibitory Concentration (IC50)	12.00 ng/mL	Moderate HER2 expression (HER2++; 32,000 HER2 molecules/cell)
Method Description	Briefly, cells were plated on 96-well plates in 75 uL growth medium and grown at 37°C in a humidified incubator in a 7.5% CO₂ atmosphere. After one day incubation, 25 uL of 3.5-fold serial dilutions of each ADC in growth medium were added, typically resulting in final ADC concentrations from 20 ug/mL to 0.02 ng/mL.
In Vitro Model	Invasive breast carcinoma	T-47D cells		CVCL_0553

References

Ref 1	Highly Potent, Anthracycline-based Antibody-Drug Conjugates Generated by Enzymatic, Site-specific Conjugation. Mol Cancer Ther. 2017 May;16(5):879-892.